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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H22N2O3S.ClH
Molecular Weight 394.916
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-DEMETHYLDEACETYLDILTIAZEM HYDROCHLORIDE

SMILES

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

InChI

InChIKey=NPMHEOKYIXUNBP-URBRKQAFSA-N
InChI=1S/C19H22N2O3S.ClH/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;1H/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

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:40:27 GMT 2023
Edited
by admin
on Sat Dec 16 09:40:27 GMT 2023
Record UNII
V659K56BCX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-DEMETHYLDEACETYLDILTIAZEM HYDROCHLORIDE
Common Name English
DEACETYL O-DESMETHYL DILTIAZEM HYDROCHLORIDE
Common Name English
1,5-BENZOTHIAZEPIN-4(5H)-ONE, 5-(2-(DIMETHYLAMINO)ETHYL)-2,3-DIHYDRO-3-HYDROXY-2-(4-HYDROXYPHENYL)-, MONOHYDROCHLORIDE, (2S-CIS)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40747422
Created by admin on Sat Dec 16 09:40:27 GMT 2023 , Edited by admin on Sat Dec 16 09:40:27 GMT 2023
PRIMARY
CAS
96252-32-3
Created by admin on Sat Dec 16 09:40:27 GMT 2023 , Edited by admin on Sat Dec 16 09:40:27 GMT 2023
PRIMARY
PUBCHEM
91810591
Created by admin on Sat Dec 16 09:40:27 GMT 2023 , Edited by admin on Sat Dec 16 09:40:27 GMT 2023
PRIMARY
FDA UNII
V659K56BCX
Created by admin on Sat Dec 16 09:40:27 GMT 2023 , Edited by admin on Sat Dec 16 09:40:27 GMT 2023
PRIMARY