U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C27H20ClNO6
Molecular Weight 489.904
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TALMETACIN

SMILES

COC1=CC2=C(C=C1)N(C(=O)C3=CC=C(Cl)C=C3)C(C)=C2CC(=O)OC4OC(=O)C5=C4C=CC=C5

InChI

InChIKey=XYRIRLDHOQSNLW-UHFFFAOYSA-N
InChI=1S/C27H20ClNO6/c1-15-21(14-24(30)34-27-20-6-4-3-5-19(20)26(32)35-27)22-13-18(33-2)11-12-23(22)29(15)25(31)16-7-9-17(28)10-8-16/h3-13,27H,14H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
TALMETACIN
INN   USAN  
USAN   INN  
Official Name English
(±)-PHTHALIDYL 1-(P-CHLOROBENZOYL)-5-METHOXY-2-METHYLINDOLE-3-ACETATE
Common Name English
1H-INDOLE-3-ACETIC ACID, 1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-, 1,3-DIHYDRO-3-OXO-1-ISOBENZOFURANYL ESTER
Systematic Name English
talmetacin [INN]
Common Name English
TALMETACIN [USAN]
Common Name English
BA-7605-06
Code English
BA 7605-06
Code English
1H-INDOLE-3-ACETIC ACID, 1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-, 1,3-DIHYDRO-3-OXO-1-ISOBENZOFURANYL ESTER, (±)-
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C257
Created by admin on Sat Dec 16 18:00:55 GMT 2023 , Edited by admin on Sat Dec 16 18:00:55 GMT 2023
Code System Code Type Description
INN
5082
Created by admin on Sat Dec 16 18:00:55 GMT 2023 , Edited by admin on Sat Dec 16 18:00:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID20867278
Created by admin on Sat Dec 16 18:00:55 GMT 2023 , Edited by admin on Sat Dec 16 18:00:55 GMT 2023
PRIMARY
PUBCHEM
68564
Created by admin on Sat Dec 16 18:00:55 GMT 2023 , Edited by admin on Sat Dec 16 18:00:55 GMT 2023
PRIMARY
EVMPD
SUB10808MIG
Created by admin on Sat Dec 16 18:00:55 GMT 2023 , Edited by admin on Sat Dec 16 18:00:55 GMT 2023
PRIMARY
NCI_THESAURUS
C76813
Created by admin on Sat Dec 16 18:00:55 GMT 2023 , Edited by admin on Sat Dec 16 18:00:55 GMT 2023
PRIMARY
SMS_ID
100000083225
Created by admin on Sat Dec 16 18:00:55 GMT 2023 , Edited by admin on Sat Dec 16 18:00:55 GMT 2023
PRIMARY
CAS
67489-39-8
Created by admin on Sat Dec 16 18:00:55 GMT 2023 , Edited by admin on Sat Dec 16 18:00:55 GMT 2023
PRIMARY
FDA UNII
6FY017I6S7
Created by admin on Sat Dec 16 18:00:55 GMT 2023 , Edited by admin on Sat Dec 16 18:00:55 GMT 2023
PRIMARY
ChEMBL
CHEMBL2105411
Created by admin on Sat Dec 16 18:00:55 GMT 2023 , Edited by admin on Sat Dec 16 18:00:55 GMT 2023
PRIMARY