Merck Index Tutorial PDF

The Merck Index, 14 th Edition
New Edition, New Features
Patricia Heckelman
Kristin Roman
American Chemical Society

233rd National Meeting
Chicago, IL
28 March 2007
Copyright © 2007 by Merck & Co., Inc., Whitehouse Station, NJ, USA. All rights reserved.
The Merck Index: Editorial Staff
z Maryadele O’Neil, Editor

z Patricia Heckelman, Senior Associate Editor
z Cherie Koch, Associate Editor
z Kristin Roman, Assistant Editor
z Catherine Kenny, Editorial Assistant
E-mail: merck_index@merck.com
Internet: www.merckindex.com
Chemistry’s Constant CompanionTM
Merck & Co., Inc. Announces…
z The Merck Index 14th Edition published in 2006

– More than 25,000 copies sold
z Reference set now includes book and CD
z CD includes the content of the book plus
almost 1000 monographs retired from the 12th
(1996) & 13th (2001) editions
z Includes a free 1-year personal subscription to
CambridgeSoft Internet Edition
Merck Publishing Tradition
z Merck began the development and publication of
medical textbooks more than 100 years ago
z The goal was to provide the scientific and medical
communities with the very best information, on a
not-for-profit basis
z These books have grown to be considered the
world’s most respected and best-selling texts in the
fields of chemistry, medicine, veterinary science
and geriatrics
www.merckbooks.com
What is The Merck Index?
z First published in 1889
z World renowned handbook of chemical,
pharmaceutical and biomedical information
z Critically evaluated, peer-reviewed, and
authoritative information
z Concise yet descriptive
The Merck Index:
Authoritative and Essential
z Editorial staff researches and analyzes a variety of
sources to identify compounds, data and literature
citations
z Focuses on compounds of significance in research,
commerce and environmental impact
z Structures, physical properties, trademarks and CAS
registry numbers critically evaluated and assigned to
specific chemical entities
z Merck Index Monograph Number used as an international
compound identifier by chemical suppliers and other
reference works
The Merck Index:
Broad Subject Coverage
z Drugs for humans and animals

z Organic chemicals used in research and
manufacturing
z Plants and traditional medicines
z Natural products and biologicals
z Agriculturals, pesticides, herbicides
z Food additives and supplements
z Fragrances, cosmetics, dyes, colors
It’s all in The Merck Index
Laboratory Bulk Chemicals Human Drugs

Reagents 16% 31%
10%
Agricultural
Compounds
3%
Veterinary Drugs
Pesticides
8%
3%
Pharmaceutic Aids
Fragrances 1%
Natural Products Plants
1% 2%
17% Biological Diagnostic Aids
Food Additives
Compounds 1%
3%
4%
The Merck Index:
Your Index to Chemical Information
z Collection of monographs covering >18000
compounds with >50000 synonyms
z >15000 Trademarks and manufacturers
z CAS Registry Numbers for >12000 compounds
z >8500 Chemical Structures
– Molecular formulae, line formulae, molecular weight,
percentage composition
z Physical Properties
– Melting point, boiling point, Log P, density, absorbance
maxima, solubility, flash point, optical rotation…
The Merck Index:
Your Index to Chemical Information
z Toxicity, Handling, Cautions
z US Regulatory Information
– Controlled Substances, Carcinogens
z Medical Uses for therapy and diagnosis
z Commercial Uses
z Key citations to the scientific literature
z International patent coverage
What’s New in the Monograph Section
z New content – over 500 new monographs

z Extensively revised
– More than half of the existing entries updated
– Updated with new references and uses
– Up-to-date US regulatory information for controlled
substances and carcinogens
– More physical properties
– Molecular weights recalculated with the latest IUPAC
standards
Expanded Focus for Researchers
z >100 new monographs covering chemicals of
significance in modern organic synthesis
– Polymer additives, solvents, fluorescent stains, reagents
z 25 New Monographs on Named Reagents
z Expanded coverage on “Green Chemistry” and
environmentally important compounds
Reagents and Commercial Chemicals
z Texanol Isobutyrate
– Plasticizer for manufacturing of vinyl flooring, toys, other vinyl
products
z Triflic Acid
– Catalyst and solvent; one of the strongest acids known
z Trifluoroethanol
– Environmentally friendly alternative to CFCs
Reagents and Commercial Chemicals
z Selectflor
– Electrophilic, versatile fluorinating reagent
z Samarium Iodide
– One-electron reducing agent used in organic synthesis
and electron transfer reactions
z Herrmann-Beller Catalyst
– Highly efficient palladacycle catalyst; used in carbon-
carbon bond forming reactions such as the Heck and
Suzuki reactions
Research Probes and Stains
z Epicocconone
– Fluorescent natural product isolated from the fungus
Epicoccum nigrum; biodegradable fluorescent stain for
protein detection
z Maitotoxin
– One of the most toxic and largest (mol wt 3422 Da)
natural products known to date; involved in ciguatera fish
poisoning; research tool for ion flux
z PMSF or phenylmethanesulfonyl fluoride
– Standard protease inhibitor in biological research
Human Pharmaceutical Products
z Antidiabetic
– Insulin Detemir: Levemir (Novo); soluble long-acting basal
insulin analog
– Sitagliptin: Januvia (Merck & Co.); selective inhibitor of
dipeptidyl peptidase IV (DPP-IV)
z Antineoplastic
– Aprinocarsen: Affinitac (Lilly); antisense oligonucleotide
designed to inhibit protein kinase C-a (PKC-a) expression
– Cetuximab: Erbitux (ImClone); chimeric mAb directed against
human epithelial growth factor receptor (EGFR); in treatment of
colorectal cancer
Human Pharmaceutical Products
z Immunomodulator
– Sipuleucel-T: Provenge (Dendreon); therapeutic vaccine
designed to stimulate immunity against human prostatic acid
phosphatase; antineoplastic
z Immunosuppressant
– Abatacept: Orencia (BMS); recombinant chimeric fusion
protein composed of CTLA-4 fused to human IgG; antipsoriatic
z Diagnostic Aid
– Ferumoxtran 10: Combidex (Advanced Magnetics);
Sinerem (Guerbet); dextran covered superparamagnetic iron
oxide magnetite nanoparticles; MRI imaging agent to detect
metastatic cancer in lymph nodes
Plants and Herbal Medicines
z Andrographis
– Herbaceous plant, Andrographis paniculata Nees,
Acanthaceae, used in in treatment of upper respiratory
infections
z Bilberry and Bilberry Extract
– Deciduous, dwarf shrub, Vaccinium myrtillus L., Ericaceae;
extract used in eyecare and skin products; used in treatment of
night blindness
z Hoodia
– Genus of succulent plants in the family Apocynaceae; used in
African traditional medicine as an appetite suppressant
The Merck Index:
More than Just the Monographs
z 450 Organic Name Reactions

– Unique compilation of reactions
– Schema and key references
– Excellent teaching tool for organic chemistry
Organic Name Reactions
The Merck Index:
Expanded Supplemental Tables
32 Tables/70 Pages of hard-to-find information

z New tables
– Vaccines − Physical & mathematical constants
– Acronyms − Selected hexoses & pentoses
z Updated Tables
– Company register − Manufacturer codes
– Glossary − International patent codes
– Periodic table − Table of atomic weights
– USAN and INN terms for radical and groups
Supplemental Tables
14th Edition Electronic Products
CD-ROM
– Included as companion to the book
– Text searchable with structure upgrade available
– Single user or single workstation
– Windows compatible
– Stand alone product requires no internet access
Internet Edition
– Platform independent
– Text and structure searchable
– Updated semi-annually
– 1 year personal subscription included with book/cd purchase
Dialog/STN Databases
– The Merck Index Online to be updated with the new edition
Getting Started
Getting Started: CD Installation
Two part installation:

Part 1: Required of all Users
Part 2: Required only if using
a version of ChemOffice
less than 10
Getting Started: CD Registration
Main Menu
• To use the CD it must be
registered.
• Register the CD after selecting
Compound Search at the Main
Menu.
• The registration (serial) number
is found on the CD envelope in
the back of your book.
• Use this same number to sign-
up for the 1-year personal
subscription the to internet
edition at:
http://scistore.cambridgesoft.com/
software/fulfill_includedproducts.cf
m?CFID=10460394&CFTOKEN=15
199970%20
Ready to Search
Main Menu
Features of CD and Web Product
z Revised search
interface
z Can search text

fields, properties, or
a combination of
both
Search Guide: Text Search
Compound Names searches: Monograph Title
Monograph Title (Bisoctrizole) (Entecavir, Mepact,
CAS Name (5-butylpicolinic acid) Noviflumuron)
Additional Names (betulic acid)
Trademark (Coumadin) Searches only the mono-
graph title as it appears in
Manufacturer Code (H-168)
the book
Derivative Type (hydrochloride)
Non-Medical Uses
Literature References (solvent, catalyst,
and Notes searches: herbicide)
Literature References
Notes
Human Therapeutic
Search by keywords (inhib- Use
itor, antioxidant), author, (vasodilator)
journal title, reference type
(prepn, isoln, determn, Search the therapeutic
clinical, pharmacology, pat- category database field
ent, review), caution state- and associated index
ment (carcinogen, overex- terms
posure).
Consult Therapeutic
Category and Biological
Manufacturer (BASF) Veterinary Therapeutic Use Activity Index in the back
Consult Company Register in the (antibacterial, anthelmintic)
of book.
Supplemental Tables section of the
book forChemistry’s Constant
company abbreviations CompanionTM
Search Guide: Properties Search
Properties (Full Text)
Search by keywords (solid,
yellow, vapor pressure)
Molecular Formula searches:

Line Formula
Molecular Formula
Derivative Molecular
Formula
Extra Formula
Use Hill Convention (C, then H,

then other elements in
alphabetical order)
Molecular Weight
Search parent and derivative
molecular weights as numerical
ranges
Please note: The Search Screen Help Guide
can be printed from the User Help
Guides on the Main Menu.
Navigation: Within an Answer Set
Last
Navigation: To additional resources
Search Guide
Search for a Specific Compound
Compound Names
Monograph Title
CAS Name
Additional Names
Trademark
Manufacturer Code
Derivative Type
Cyanuric Chloride
Monograph Title
Searches only the mono-

graph title as it appears in
the book
Searching for a Specific Compound
Caution
Statement
Use
Search for Compounds by a Specific
Company
Manufacturer
Consult Company Register in the

Supplemental Tables section of
the book for company
abbreviations
Search for Compounds by a Specific Company
Used to switch
between
monograph view
and table view.
Current Record Database size
Current List Size
Table View
Table View
Step #2: Return to the

monograph
view for details
Monograph View
Step #1: Click on
compound
of interest
Monograph View
Return to search screen
Search for a Specific Author
Literature References and Notes:
Also search by:

•Keywords (inhibitor, antioxidant)
•Author
•Journal title
•Reference type (prepn, isoln,
determn, clinical, pharmacology,
patent, review)
•Caution statement (carcinogen,
overexposure, controlled
substance)
Search for a Specific Author
Active vs. Retired Monographs
Monographs that have been removed

from the 12th and 13th editions have
been provided on The Merck Index
14th edition CD in a retired state.
• The search default is to search over

all active and retired monographs.
• Searches can be conducted over the

active monographs only.
• After each search the default is

restored and searches will be Check to search only the active monographs
conducted over active and retired
monographs unless the box next to
“Search Active Monographs Only” is
checked.
Search Active and Retired
Monographs for Insecticides
Active and Retired Monographs on Insecticides
Example of Active Monograph Example of Retired Monograph
There are 285 active and retired monographs on

compounds with a use as an insecticide.
Active Monographs on Insecticides
Step #1: Check the box next to Search Active

Monographs Only
Step #2: Enter keyword “insecticide” into

Non-Medical Use field
Active Monographs on Insecticides
There are 257 active monographs on compounds with a use

as an insecticide. Therefore, 28 monographs are retired.
Multiple Terms in a Single Field
controlled substance AND anabolic steroid
Please note: Boolean

operators must be capitalized
when using the internet edition.
Multiple Terms in a Single Field
Sampling of results from searching “controlled
substance AND anabolic steroid” in Literature
References and Notes.
The table view allows quick review of the structures

to assess similarities.
Multiple Terms in Separate Fields
Searching for
monographs with a
human therapeutic
use of antilipemic
that have toxicity
data (or where
toxicity data exists).
The asterisk “ *” can be used for
“wild cards” and “exists” searches.
Multiple Terms in Separate Fields
Properties Range Searching
Fields within the Properties

Search section are
range searchable.
Properties Range Searching
Please note: Properties searches
will cover both parent and
derivative values as illustrated
below.
Human Therapeutic Use of Astringent
Human Therapeutic Use of Astringent
To revise an active search, select:
Limit Human Therapeutic Use of Astringent
Search to Those with Aluminum
Human Therapeutic Use: Astringent
+ Molecular Formula: Al
Book and CD: Select Monograph Terms and Glossary
The Search Monographs function can

be coupled with other features of
the CD.
For example: To find a definition for

the term “lakes,” the glossary can
be very helpful.
Selecting Tables links to the Glossary and other

tables. The Supplemental Tables can also
be accessed from the Main Menu.
After selecting Tables while in the

monograph view, the full listing
of the Supplemental Tables
appears.
Scroll through the list and double-

click to view the table of
interest.
The “Search” feature of Adobe Acrobat

enables quick retrieval of glossary terms.
†
Searching for Structure and Properties
†
To conduct a substructure
search on anthracene:
Step #1: Double-click in

structure box for drawing
toolbar to appear.
Step #2: Use toolbar to draw

structure.
Step #3: Click outside of the

structure box and execute by
clicking on “Search.”

† Please note that the following examples are conducted using the structure upgrade form of the CD. For further information on this upgrade, please contact CambridgeSoft.
Structure and Properties Searching
To further refine the

substructure search.
Structure and Properties Searching
A structure search can be

further refined by adding
additional search terms.
For example: To refine the

substructure search on
anthracene, the keyword
“violet” is added.
Structure and Properties Searching: Search Results
Search results from the

refined substructure
search on anthracene
and violet among the
properties.
Access the Organic Name Reactions from the Main Menu

or from any monograph
z 450 Organic Name

Reactions are
included
z Each contains:
– Reference history
– Associated reaction
schema
Browse Reaction Names Alphabetically
Under the Contents tab,

reaction names can be
browsed alphabetically.
Search for a Specific Reaction
Select the Search tab to

find a specific reaction
by using keywords.
To Create a List of Favorites
Step #1: While viewing a

reaction of interest, select
the “Favorites” tab.
Step #2: At the bottom of the

window, in the “Current
Topic” box, the reaction
name will appear.
•Select “Add” to include
the reaction among the
Favorites.
The added reaction name

will appear among the
Favorites.
To view a reaction, select

the Favorites tab and
either double-click on
the reaction name or
highlight the reaction
name and select
Display.
To remove a reaction
from the list of
Favorites, highlight
the reaction name
and select Remove.
Highlights for the 14th Edition
z Book/CD reference set is now available
– List Price $125 USD; show discount 15%
z Reference set now includes book and CD
z Over 700 new and majorly revised monographs, expanded
supplemental tables, 450 Organic Name Reactions
z CD includes almost 1000 monographs retired from the 12th
& 13th editions
z Includes a free 1-year personal subscription to
CambridgeSoft Internet Edition
z Internet subscriptions and site licenses visit CambridgeSoft
at www.cambridgesoft.com
Suggestions…Please Contact Us
Have an idea for a new monograph?
Found an ONR that is not included?
A recommendation to improve the product?
Please contact us…
E-mail: merck_index@merck.com
Internet: www.merckindex.com

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The Merck Index, 14 th Edition

New Edition, New Features

American Chemical Society

z Maryadele O’Neil, Editor

z The Merck Index 14th Edition published in 2006

Chemistry’s Constant CompanionTM

Chemistry’s Constant CompanionTM

Chemistry’s Constant CompanionTM

z Drugs for humans and animals

Laboratory Bulk Chemicals Human Drugs

Chemistry’s Constant CompanionTM

Chemistry’s Constant CompanionTM

Chemistry’s Constant CompanionTM

z New content – over 500 new monographs

Chemistry’s Constant CompanionTM

Chemistry’s Constant CompanionTM

Chemistry’s Constant CompanionTM

Chemistry’s Constant CompanionTM

Chemistry’s Constant CompanionTM

Chemistry’s Constant CompanionTM

Chemistry’s Constant CompanionTM

Chemistry’s Constant CompanionTM

z 450 Organic Name Reactions

Chemistry’s Constant CompanionTM

Chemistry’s Constant CompanionTM

32 Tables/70 Pages of hard-to-find information

Chemistry’s Constant CompanionTM

Chemistry’s Constant CompanionTM

Chemistry’s Constant CompanionTM

Chemistry’s Constant CompanionTM

Two part installation:

Chemistry’s Constant CompanionTM

Chemistry’s Constant CompanionTM

z Can search text

Chemistry’s Constant CompanionTM

Molecular Formula searches:

Use Hill Convention (C, then H,

Chemistry’s Constant CompanionTM

Chemistry’s Constant CompanionTM

Searches only the mono-

Chemistry’s Constant CompanionTM

Consult Company Register in the

Chemistry’s Constant CompanionTM

Current Record Database size

Current List Size

Step #2: Return to the

Return to search screen

Literature References and Notes:

Also search by:

Chemistry’s Constant CompanionTM

Monographs that have been removed

• The search default is to search over

• Searches can be conducted over the

• After each search the default is

Chemistry’s Constant CompanionTM

Chemistry’s Constant CompanionTM

There are 285 active and retired monographs on

Step #1: Check the box next to Search Active

Step #2: Enter keyword “insecticide” into

Chemistry’s Constant CompanionTM

There are 257 active monographs on compounds with a use

controlled substance AND anabolic steroid

Please note: Boolean