N-DESMETHYL DESACETYL DILTIAZEM HYDROCHLORIDE

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 N-DESMETHYL DESACETYL DILTIAZEM HYDROCHLORIDE

Structure Search

SMILES

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

InChI

InChIKey=WRRTVAXYYSGAOT-URBRKQAFSA-N

InChI=1S/C19H22N2O3S.ClH/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;1H/t17-,18+;/m1./s1

HIDE SMILES / InChI

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

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 `Fri Dec 15 20:16:21 GMT 2023` Edited by `admin` on `Fri Dec 15 20:16:21 GMT 2023`
Record UNII	H630JQ0VWQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-DESMETHYL DESACETYL DILTIAZEM HYDROCHLORIDE

Common Name

English

1,5-BENZOTHIAZEPIN-4(5H)-ONE, 2,3-DIHYDRO-3-HYDROXY-2-(4-METHOXYPHENYL)-5-(2-(METHYLAMINO)ETHYL)-, MONOHYDROCHLORIDE, (2S-CIS)-

Systematic Name

English

Code System Code Type Description

CAS

142926-11-2

Created by admin on Fri Dec 15 20:16:21 GMT 2023 , Edited by admin on Fri Dec 15 20:16:21 GMT 2023

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FDA UNII

H630JQ0VWQ

Created by admin on Fri Dec 15 20:16:21 GMT 2023 , Edited by admin on Fri Dec 15 20:16:21 GMT 2023

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PUBCHEM

91810616

Created by admin on Fri Dec 15 20:16:21 GMT 2023 , Edited by admin on Fri Dec 15 20:16:21 GMT 2023

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