N-DEMETHYLDILTIAZEM

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H24N2O4S
Molecular Weight	400.491
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=YOMLDISQSWWYOT-UXHICEINSA-N

InChI=1S/C21H24N2O4S/c1-14(24)27-19-20(15-8-10-16(26-3)11-9-15)28-18-7-5-4-6-17(18)23(21(19)25)13-12-22-2/h4-11,19-20,22H,12-13H2,1-3H3/t19-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H24N2O4S
Molecular Weight	400.491
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Thu Jul 06 14:11:52 UTC 2023` Edited by `admin` on `Thu Jul 06 14:11:52 UTC 2023`
Record UNII	IF0841K5LK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-DEMETHYLDILTIAZEM

Common Name

English

(2S,3S)-2-(4-METHOXYPHENYL)-5-(2-(METHYLAMINO) ETHYL)-4-OXO-2,3,4,5-TETRAHYDRO-1,5-BENZOTHIAZEPIN-3-YL ACETATE

Systematic Name

English

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

Systematic Name

English

N-MONODESMETHYLDILTIAZEM

Common Name

English

DILTIAZEM HYDROCHLORIDE IMPURITY D [EP IMPURITY]

Common Name

English

N-DESMETHYLDILTIAZEM

Common Name

English

Code System Code Type Description

FDA UNII

IF0841K5LK

Created by admin on Thu Jul 06 14:11:52 UTC 2023 , Edited by admin on Thu Jul 06 14:11:52 UTC 2023

PRIMARY

EPA CompTox

DTXSID60873797

Created by admin on Thu Jul 06 14:11:52 UTC 2023 , Edited by admin on Thu Jul 06 14:11:52 UTC 2023

PRIMARY

CAS

86408-45-9

Created by admin on Thu Jul 06 14:11:52 UTC 2023 , Edited by admin on Thu Jul 06 14:11:52 UTC 2023

PRIMARY

PUBCHEM

107891

Created by admin on Thu Jul 06 14:11:52 UTC 2023 , Edited by admin on Thu Jul 06 14:11:52 UTC 2023

PRIMARY

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Comments:

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Interaction Type:

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Qualification:

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Interaction Type:

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Qualification:

EP

Amount: