U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H22N2O3S
Molecular Weight 358.455
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DESMETHYL DESACETYL DILTIAZEM

SMILES

CNCCN1C2=CC=CC=C2S[C@H]([C@@H](O)C1=O)C3=CC=C(OC)C=C3

InChI

InChIKey=HNXJRKQNTGIDDU-MSOLQXFVSA-N
InChI=1S/C19H22N2O3S/c1-20-11-12-21-15-5-3-4-6-16(15)25-18(17(22)19(21)23)13-7-9-14(24-2)10-8-13/h3-10,17-18,20,22H,11-12H2,1-2H3/t17-,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H22N2O3S
Molecular Weight 358.455
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:16:57 GMT 2025
Edited
by admin
on Mon Mar 31 22:16:57 GMT 2025
Record UNII
3QX2LKX8XZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DESMETHYL DESACETYL DILTIAZEM
Common Name English
AC1L4RAI
Preferred Name English
CTK5E8725
Code English
N-DESMETHYLDEACETYLDILTIAZEM
Common Name English
AG-K-03466
Code English
SURECN5821022
Code English
(2S,3S)-3-HYDROXY-2-(3-METHOXYPHENYL)-5-(2-(METHYLAMINO)ETHYL)-2,3-DIHYDROBENZO(B)(1,4)THIAZEPIN-4(5H)-ONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40235531
Created by admin on Mon Mar 31 22:16:57 GMT 2025 , Edited by admin on Mon Mar 31 22:16:57 GMT 2025
PRIMARY
CAS
86408-44-8
Created by admin on Mon Mar 31 22:16:57 GMT 2025 , Edited by admin on Mon Mar 31 22:16:57 GMT 2025
PRIMARY
PUBCHEM
158945
Created by admin on Mon Mar 31 22:16:57 GMT 2025 , Edited by admin on Mon Mar 31 22:16:57 GMT 2025
PRIMARY
FDA UNII
3QX2LKX8XZ
Created by admin on Mon Mar 31 22:16:57 GMT 2025 , Edited by admin on Mon Mar 31 22:16:57 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Related Record Type Details
PARENT -> IMPURITY