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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H22N2O3S
Molecular Weight 358.4564
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-DEMETHYLDEACETYLDILTIAZEM

SMILES

CN(C)CCN1c2ccccc2S[C@@]([H])(c3ccc(cc3)O)[C@]([H])(C1=O)O

InChI

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

HIDE SMILES / InChI

Molecular Formula C19H22N2O3S
Molecular Weight 358.4564
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Jun 26 04:31:40 UTC 2021
Edited
by admin
on Sat Jun 26 04:31:40 UTC 2021
Record UNII
JWM585056U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-DEMETHYLDEACETYLDILTIAZEM
Common Name English
DEACETYL-O-DEMETHYL-D-DILTIAZEM
Common Name English
DEACETYL-O-DEMETHYLDILTIAZEM
Common Name English
DEACETYL O-DESMETHYL DILTIAZEM
Common Name English
1,5-BENZOTHIAZEPIN-4(5H)-ONE, 5-(2-(DIMETHYLAMINO)ETHYL)-2,3-DIHYDRO-3-HYDROXY-2-(4-HYDROXYPHENYL)-, (2S,3S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
10021324
Created by admin on Sat Jun 26 04:31:40 UTC 2021 , Edited by admin on Sat Jun 26 04:31:40 UTC 2021
PRIMARY
CAS
84903-82-2
Created by admin on Sat Jun 26 04:31:40 UTC 2021 , Edited by admin on Sat Jun 26 04:31:40 UTC 2021
PRIMARY
FDA UNII
JWM585056U
Created by admin on Sat Jun 26 04:31:40 UTC 2021 , Edited by admin on Sat Jun 26 04:31:40 UTC 2021
PRIMARY
EPA CompTox
84903-82-2
Created by admin on Sat Jun 26 04:31:40 UTC 2021 , Edited by admin on Sat Jun 26 04:31:40 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
URINE