DEACETYLDILTIAZEM

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H24N2O3S
Molecular Weight	372.481
Optical Activity	( + )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DEACETYLDILTIAZEM

Structure Search

SMILES

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

InChI

InChIKey=NZHUXMZTSSZXSB-MOPGFXCFSA-N

InChI=1S/C20H24N2O3S/c1-21(2)12-13-22-16-6-4-5-7-17(16)26-19(18(23)20(22)24)14-8-10-15(25-3)11-9-14/h4-11,18-19,23H,12-13H2,1-3H3/t18-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H24N2O3S
Molecular Weight	372.481
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 16:17:11 UTC 2023` Edited by `admin` on `Fri Dec 15 16:17:11 UTC 2023`
Record UNII	849UT193YJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEACETYLDILTIAZEM

Common Name

English

DILTIAZEM HYDROCHLORIDE IMPURITY F [EP IMPURITY]

Common Name

English

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

Systematic Name

English

(+)-DESACETYLDILTIAZEM

Common Name

English

DEACETYL-D-DILTIAZEM

Common Name

English

Desacetyldiltiazem [WHO-DD]

Common Name

English

DESACETYLDILTIAZEM [WHO-IP]

Common Name

English

DESACETYLDILTIAZEM

Common Name

English

Code System Code Type Description

PUBCHEM

91638

Created by admin on Fri Dec 15 16:17:11 UTC 2023 , Edited by admin on Fri Dec 15 16:17:11 UTC 2023

PRIMARY

EVMPD

SUB112491

Created by admin on Fri Dec 15 16:17:11 UTC 2023 , Edited by admin on Fri Dec 15 16:17:11 UTC 2023

PRIMARY

MESH

C037769

Created by admin on Fri Dec 15 16:17:11 UTC 2023 , Edited by admin on Fri Dec 15 16:17:11 UTC 2023

PRIMARY

CAS

91602-22-1

Created by admin on Fri Dec 15 16:17:11 UTC 2023 , Edited by admin on Fri Dec 15 16:17:11 UTC 2023

SUPERSEDED

SMS_ID

100000142066

Created by admin on Fri Dec 15 16:17:11 UTC 2023 , Edited by admin on Fri Dec 15 16:17:11 UTC 2023

PRIMARY

CAS

42399-40-6

Created by admin on Fri Dec 15 16:17:11 UTC 2023 , Edited by admin on Fri Dec 15 16:17:11 UTC 2023

PRIMARY

ECHA (EC/EINECS)

255-795-9

Created by admin on Fri Dec 15 16:17:11 UTC 2023 , Edited by admin on Fri Dec 15 16:17:11 UTC 2023

PRIMARY

EPA CompTox

DTXSID00881093

Created by admin on Fri Dec 15 16:17:11 UTC 2023 , Edited by admin on Fri Dec 15 16:17:11 UTC 2023

PRIMARY

FDA UNII

849UT193YJ

Created by admin on Fri Dec 15 16:17:11 UTC 2023 , Edited by admin on Fri Dec 15 16:17:11 UTC 2023

PRIMARY

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BINDER->LIGAND

Amount:


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SALT/SOLVATE -> PARENT

Amount:

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Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: