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Find the Molecular Formula for a Drug?
TOPIC: Finding the correct nomenclature for a particular drug is an important part of searching for pharmaceutical information. Drug directory databases let you identify the molecular formula for a drug, as well as generic names, trade names, lab codes, CAS® Registry Numbers, and synonyms. In this example, you want to find the molecular formula for lovastatin, a drug for lowering cholesterol.
You can search for the molecular formula using the drug name in Chapman & Hall Chemical Database (File 303), The Merck Index OnlineSM (File 304) or Registry of Toxic Effects of Chemical Substances (RTECS®) (File 336), files of chemical substances.
COMMAND SUMMARY
BEGIN 303,304,336
EXPAND NA=LOVASTATIN
SELECT E3
TYPE S1/6/1
HOW TO...
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1. BEGIN Files 303, 304 and 336 to search for a chemical substance.
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?b303,304,336
SYSTEM:OS - DIALOG OneSearch
File 303:Chapman & Hall Chemical Database 1997/Apr
(c) 1997 Chapman & Hall
File 304:The Merck Index Online 2012S1
A subsid. of Merck&Co,Inc.,USA
File 336:RTECS 2012/Q3
Portions (c) Copyright 2012, U.S. Government. Rights Res
Set Items Description
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2. EXPAND (E) using the prefix NA= for chemical name and the name of the substance.
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? e na=lovastatin
Ref Items Index-term
E1 1 NA=LOVAGE OIL
E2 1 NA=LOVAN
E3 5 *NA=LOVASTATIN
E4 1 NA=LOVASTATIN ACID
E5 1 NA=LOVAZA
E6 1 NA=LOVCHONITE
E7 1 NA=LOVE"
E8 1 NA=LOVELL SUBSTANCE
E9 1 NA=LOVENONE
E10 3 NA=LOVENOX
E11 1 NA=LOVERAINE
E12 1 NA=LOVERINE
E13 1 NA=LOVIRIDE
Enter P or PAGE for more |
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3. SELECT the appropriate E number(s) (E3).
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? s e3
S1 5 NA='LOVASTATIN' |
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4. TYPE the records using Format 6 to see the molecular formula.
Notice that File 303 does not display the molecular formula in Formats 6 or 8, but you can create a user-defined format to display the molecular formula and synonyms. See optional Step 5 below.
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? t s1/6/all
1/6/1 (Item 1 from file: 303)
DIALOG(R)File 303: Chapman & Hall Chemical Database
(c) 1997 Chapman & Hall. All rights reserved.
01139254
Unique key: 00007214- -00
CHCD Name: Mevinolin
CAS Registry No: 75330-75-5
Data Tags: CAS Registry number; Molecular formula; Source; Use/Importance;
Physical State; Melting Point; Optical Rotation; Hazard/Toxicity Data;
Rtecs Reference
1/6/2 (Item 2 from file: 303)
DIALOG(R)File 303: Chapman & Hall Chemical Database
(c) 1997 Chapman & Hall. All rights reserved.
00945225
Unique key: 00007214- -00
CHCD Name: Mevinolin
CAS Registry No: 75330-75-5
Data Tags: CAS Registry number; Molecular formula; Source; Use/Importance;
Physical State; Melting Point; Optical Rotation; Hazard/Toxicity Data;
Rtecs Reference
1/6/3 (Item 3 from file: 303)
DIALOG(R)File 303: Chapman & Hall Chemical Database
(c) 1997 Chapman & Hall. All rights reserved.
00435470
Unique key: 00007214- -00
CHCD Name: Mevinolin
CAS Registry No: 75330-75-5
Data Tags: CAS Registry number; Molecular formula; Source; Use/Importance;
Physical State; Melting Point; Optical Rotation; Rtecs Reference;
Hazard/Toxicity Data
1/6/4 (Item 1 from file: 304)
DIALOG(R)File 304: The Merck Index Online
A subsid. of Merck&Co,Inc.,USA. All rights reserved.
05586 Monograph Name: Lovastatin
CAS REGISTRY NUMBER: 75330-75-5
MOLECULAR FORMULA: C24H36O5
1/6/5 (Item 1 from file: 336)
DIALOG(R)File 336: RTECS
Portions (c) Copyright 2012, U.S. Government. Rights Res. All rights reserved.
5717592 RTECS Number: EK7907000
Substance Name: Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3,
7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6- ; oxo-2H-pyran-2-yl)ethyl)-1-
naphthalenyl ester, (1S-(1-alpha-(R*),3-alpha,7-beta,8-beta-(2S*, ; 4S*),
8a-beta))
-CAS Registry Number: 75330-75-5; 71949-96-7; 74133-25-8 Molecular
Formula: C24H36O5 Molecular Weight: 0404.60 Beilstein Registry Number: 3631989
Synonyms: Lovastatin ; 6-alpha-Methylcompactin ; Mevacor ; Mevinacor ;
Mevinolin ; MK 803 ; Monacolin K ; MSD 803
Compound Class: Drug; Mutagen; Human Data; Reproductive Effector
Record Date: 201204
DATA PRESENT: Mutation Effects; Reproductive Effects; Toxicity Effects; Human
Toxicity Effects; Other Multiple Dose Effects; Reviews |
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5. Use the SET Un command, where n is a user-defined format number of your choice.
SET U4/MF,SY
Dialog displays an estimated cost preview to TYPE the user-defined format.
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? set u4 mf,sy
User Defined Format 4 is set to MF SY.
Type/Display Estimated Cost: $ 0.00 - (File 303).
Print Estimated Cost: $ 0.00.
Type/Display Estimated Cost: $ 2.75 - (File 304).
Print Estimated Cost: $ 2.75.
Type/Display Estimated Cost: $ 0.00 - (File 336).
Print Estimated Cost: $ 0.00. |
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6. TYPE records 1-3 from File 303 using user-defined format U4.
Check the Bluesheets to see the available pre-defined display formats and decide how much of the records you wish to display.
To see an entire record use Format 9.
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? t s1/u4/1-3 from 303
1/U4/1 (Item 1 from file: 303)
DIALOG(R)File 303: Chapman & Hall Chemical Database
(c) 1997 Chapman & Hall. All rights reserved.
Synonyms: Lovastatin ; Monacolin K; Mevacor; L 154803; MB 530B; MSD 803;
Antibiotic L 154803; Antibiotic MB 530B; Antibiotic MSD 803
Molecular Formula: C24H36O5
1/U4/2 (Item 2 from file: 303)
DIALOG(R)File 303: Chapman & Hall Chemical Database
(c) 1997 Chapman & Hall. All rights reserved.
Synonyms: Lovastatin ; Monacolin K; Mevacor; L 154803; MB 530B; MSD 803;
Antibiotic L 154803; Antibiotic MB 530B; Antibiotic MSD 803
Molecular Formula: C24H36O5
1/U4/3 (Item 3 from file: 303)
DIALOG(R)File 303: Chapman & Hall Chemical Database
(c) 1997 Chapman & Hall. All rights reserved.
Synonyms: Lovastatin ; Monacolin K; Mevacor; L 154803; MB 530B; MSD 803;
Antibiotic L 154803; Antibiotic MB 530B; Antibiotic MSD 803 |
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