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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H24N2O4S
Molecular Weight 400.491
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-DESMETHYLDILTIAZEM

SMILES

CN(C)CCN1C2=CC=CC=C2S[C@H]([C@@H](OC(C)=O)C1=O)C3=CC=C(O)C=C3

InChI

InChIKey=ALISTFINEQANJP-UXHICEINSA-N
InChI=1S/C21H24N2O4S/c1-14(24)27-19-20(15-8-10-16(25)11-9-15)28-18-7-5-4-6-17(18)23(21(19)26)13-12-22(2)3/h4-11,19-20,25H,12-13H2,1-3H3/t19-,20+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
O-DESMETHYLDILTIAZEM
Common Name English
(2S,3S)-5-(2-(DIMETHYLAMINO)ETHYL)-2-(4-HYDROXYPHENYL)-4-OXO-2,3,4,5-TETRAHYDRO-1,5-BENZOTHIAZEPIN-3-YL ACETATE
Systematic Name English
DILTIAZEM HYDROCHLORIDE IMPURITY C [EP IMPURITY]
Common Name English
1,5-BENZOTHIAZEPIN-4(5H)-ONE, 3-(ACETYLOXY)-5-(2-(DIMETHYLAMINO)ETHYL)-2,3-DIHYDRO-2-(4-HYDROXYPHENYL)-, (2S,3S)-
Systematic Name English
1,5-BENZOTHIAZEPIN-4(5H)-ONE, 3-(ACETYLOXY)-5-(2-(DIMETHYLAMINO)ETHYL)-2,3-DIHYDRO-2-(4-HYDROXYPHENYL)-, (2S-CIS)-
Systematic Name English
Code System Code Type Description
PUBCHEM
25834477
Created by admin on Sat Dec 16 08:44:11 GMT 2023 , Edited by admin on Sat Dec 16 08:44:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID00518150
Created by admin on Sat Dec 16 08:44:11 GMT 2023 , Edited by admin on Sat Dec 16 08:44:11 GMT 2023
PRIMARY
FDA UNII
WHL9DZ4AZW
Created by admin on Sat Dec 16 08:44:11 GMT 2023 , Edited by admin on Sat Dec 16 08:44:11 GMT 2023
PRIMARY
CAS
84903-78-6
Created by admin on Sat Dec 16 08:44:11 GMT 2023 , Edited by admin on Sat Dec 16 08:44:11 GMT 2023
PRIMARY