CLENTIAZEM

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H25ClN2O4S
Molecular Weight	448.963
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CLENTIAZEM

Structure Search

SMILES

COC1=CC=C(C=C1)[C@@H]2SC3=C(C=CC(Cl)=C3)N(CCN(C)C)C(=O)[C@@H]2OC(C)=O

InChI

InChIKey=GYKFWCDBQAFCLJ-RTWAWAEBSA-N

InChI=1S/C22H25ClN2O4S/c1-14(26)29-20-21(15-5-8-17(28-4)9-6-15)30-19-13-16(23)7-10-18(19)25(22(20)27)12-11-24(2)3/h5-10,13,20-21H,11-12H2,1-4H3/t20-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H25ClN2O4S
Molecular Weight	448.963
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 16:13:39 UTC 2023` Edited by `admin` on `Fri Dec 15 16:13:39 UTC 2023`
Record UNII	40DK034DRC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CLENTIAZEM

Official Name

English

clentiazem [INN]

Common Name

English

Clentiazem [WHO-DD]

Common Name

English

CLENTIAZEM [MI]

Common Name

English

(+)-(2S,3S)-8-CHLORO-5-(2-(DIMETHYLAMINO)ETHYL)-2,3-DIHYDRO-3-HYDROXY-2-(P-METHOXYPHENYL)-1,5-BENZOTHIAZEPIN-4(5H)-ONE ACETATE (ESTER)

Common Name

English

1,5-BENZOTHIAZEPIN-4(5H)-ONE, 3-(ACETYLOXY)-8-CHLORO-5-(2-(DIMETHYLAMINO)ETHYL)-2,3-DIHYDRO-2-(4-METHOXYPHENYL)-, (2S-CIS)-

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C333

Created by admin on Fri Dec 15 16:13:39 UTC 2023 , Edited by admin on Fri Dec 15 16:13:39 UTC 2023

Code System Code Type Description

CAS

96125-53-0

Created by admin on Fri Dec 15 16:13:39 UTC 2023 , Edited by admin on Fri Dec 15 16:13:39 UTC 2023

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WIKIPEDIA

CLENTIAZEM

Created by admin on Fri Dec 15 16:13:39 UTC 2023 , Edited by admin on Fri Dec 15 16:13:39 UTC 2023

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EVMPD

SUB06653MIG

Created by admin on Fri Dec 15 16:13:39 UTC 2023 , Edited by admin on Fri Dec 15 16:13:39 UTC 2023

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SMS_ID

100000080214

Created by admin on Fri Dec 15 16:13:39 UTC 2023 , Edited by admin on Fri Dec 15 16:13:39 UTC 2023

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ChEMBL

CHEMBL165667

Created by admin on Fri Dec 15 16:13:39 UTC 2023 , Edited by admin on Fri Dec 15 16:13:39 UTC 2023

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EPA CompTox

DTXSID901028074

Created by admin on Fri Dec 15 16:13:39 UTC 2023 , Edited by admin on Fri Dec 15 16:13:39 UTC 2023

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FDA UNII

40DK034DRC

Created by admin on Fri Dec 15 16:13:39 UTC 2023 , Edited by admin on Fri Dec 15 16:13:39 UTC 2023

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MERCK INDEX

m3616

Created by admin on Fri Dec 15 16:13:39 UTC 2023 , Edited by admin on Fri Dec 15 16:13:39 UTC 2023

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Merck Index

INN

6453

Created by admin on Fri Dec 15 16:13:39 UTC 2023 , Edited by admin on Fri Dec 15 16:13:39 UTC 2023

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MESH

C056595

Created by admin on Fri Dec 15 16:13:39 UTC 2023 , Edited by admin on Fri Dec 15 16:13:39 UTC 2023

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NCI_THESAURUS

C81679

Created by admin on Fri Dec 15 16:13:39 UTC 2023 , Edited by admin on Fri Dec 15 16:13:39 UTC 2023

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PUBCHEM

57026

Created by admin on Fri Dec 15 16:13:39 UTC 2023 , Edited by admin on Fri Dec 15 16:13:39 UTC 2023

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Related Record Type Details


					YN4F0N5QE0

CLENTIAZEM MALEATE

SALT/SOLVATE -> PARENT

Related Record Type Details


					40DK034DRC

ACTIVE MOIETY