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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H23N3O5S
Molecular Weight 429.489
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-desmethyl-diltiazem

SMILES

COC1=CC=C(C=C1)[C@@H]2SC3=CC=CC=C3N(CCN(C)N=O)C(=O)[C@@H]2OC(C)=O

InChI

InChIKey=GEUWCFNHPYOGLO-UXHICEINSA-N
InChI=1S/C21H23N3O5S/c1-14(25)29-19-20(15-8-10-16(28-3)11-9-15)30-18-7-5-4-6-17(18)24(21(19)26)13-12-23(2)22-27/h4-11,19-20H,12-13H2,1-3H3/t19-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H23N3O5S
Molecular Weight 429.489
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 Wed Apr 02 18:25:06 GMT 2025
Edited
by admin
on Wed Apr 02 18:25:06 GMT 2025
Record UNII
RVD2QJ4BD2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-nitroso-desmethyl-diltiazem
Preferred Name English
Code System Code Type Description
PUBCHEM
171381006
Created by admin on Wed Apr 02 18:25:06 GMT 2025 , Edited by admin on Wed Apr 02 18:25:06 GMT 2025
PRIMARY
FDA UNII
RVD2QJ4BD2
Created by admin on Wed Apr 02 18:25:06 GMT 2025 , Edited by admin on Wed Apr 02 18:25:06 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY