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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H24N2O4S
Molecular Weight 400.4931
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DEMETHYLDILTIAZEM

SMILES

CC(=O)O[C@]1([H])[C@]([H])(c2ccc(cc2)OC)Sc3ccccc3N(CCNC)C1=O

InChI

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

HIDE SMILES / InChI

Molecular Formula C21H24N2O4S
Molecular Weight 400.4931
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Fri Jun 25 23:21:23 UTC 2021
Edited
by admin
on Fri Jun 25 23:21:23 UTC 2021
Record UNII
IF0841K5LK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DEMETHYLDILTIAZEM
Common Name English
(2S,3S)-2-(4-METHOXYPHENYL)-5-(2-(METHYLAMINO) ETHYL)-4-OXO-2,3,4,5-TETRAHYDRO-1,5-BENZOTHIAZEPIN-3-YL ACETATE
Systematic Name English
1,5-BENZOTHIAZEPIN-4(5H)-ONE, 3-(ACETYLOXY)-2,3-DIHYDRO-2-(4-METHOXYPHENYL)-5-(2-(METHYLAMINO)ETHYL)-, (2S-CIS)-
Systematic Name English
N-MONODESMETHYLDILTIAZEM
Common Name English
N-DESMETHYLDILTIAZEM
Common Name English
Code System Code Type Description
FDA UNII
IF0841K5LK
Created by admin on Fri Jun 25 23:21:23 UTC 2021 , Edited by admin on Fri Jun 25 23:21:23 UTC 2021
PRIMARY
CAS
86408-45-9
Created by admin on Fri Jun 25 23:21:23 UTC 2021 , Edited by admin on Fri Jun 25 23:21:23 UTC 2021
PRIMARY
PUBCHEM
107891
Created by admin on Fri Jun 25 23:21:23 UTC 2021 , Edited by admin on Fri Jun 25 23:21:23 UTC 2021
PRIMARY
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