4-(6-(2-CHLOROETHYL)-3-METHYL-3,6,7,8-TETRAHYDROIMIDAZO(4',5':5,6)BENZO(1,2-B)(1,4)THIAZIN-2-YL)BUTANOIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H20ClN3O2S
Molecular Weight	353.867
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(6-(2-CHLOROETHYL)-3-METHYL-3,6,7,8-TETRAHYDROIMIDAZO(4',5':5,6)BENZO(1,2-B)(1,4)THIAZIN-2-YL)BUTANOIC ACID

Structure Search

SMILES

CN1C(CCCC(O)=O)=NC2=C1C=CC3=C2SCCN3CCCl

InChI

InChIKey=JOUZJTKKJDXTBE-UHFFFAOYSA-N

InChI=1S/C16H20ClN3O2S/c1-19-11-5-6-12-16(23-10-9-20(12)8-7-17)15(11)18-13(19)3-2-4-14(21)22/h5-6H,2-4,7-10H2,1H3,(H,21,22)

HIDE SMILES / InChI

Molecular Formula	C16H20ClN3O2S
Molecular Weight	353.867
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:05:50 GMT 2025` Edited by `admin` on `Wed Apr 02 12:05:50 GMT 2025`
Record UNII	EH5A8F45W2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENDAMUSTINE RELATED COMPOUND G [USP IMPURITY]

Preferred Name

English

4-(6-(2-CHLOROETHYL)-3-METHYL-3,6,7,8-TETRAHYDROIMIDAZO(4',5':5,6)BENZO(1,2-B)(1,4)THIAZIN-2-YL)BUTANOIC ACID

Common Name

English

6-(2-CHLOROETHYL)-3,6,7,8-TETRAHYDRO-3-METHYLIMIDAZO(4,5-H)(1,4)BENZOTHIAZINE-2-BUTANOIC ACID

Systematic Name

English

IMIDAZO(4,5-H)(1,4)BENZOTHIAZINE-2-BUTANOIC ACID, 6-(2-CHLOROETHYL)-3,6,7,8-TETRAHYDRO-3-METHYL-

Systematic Name

English

4-(6-(2-CHLOROETHYL)-3,6,7,8-TETRAHYDRO-3-METHYLIMIDAZO(4,5-H)(1,4)BENZOTHIAZIN-2-YL)BUTANOIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

EH5A8F45W2

Created by admin on Wed Apr 02 12:05:50 GMT 2025 , Edited by admin on Wed Apr 02 12:05:50 GMT 2025

PRIMARY

CAS

191939-34-1

Created by admin on Wed Apr 02 12:05:50 GMT 2025 , Edited by admin on Wed Apr 02 12:05:50 GMT 2025

PRIMARY

PUBCHEM

639416

Created by admin on Wed Apr 02 12:05:50 GMT 2025 , Edited by admin on Wed Apr 02 12:05:50 GMT 2025

PRIMARY

Related Record Type Details


					981Y8SX18M

BENDAMUSTINE HYDROCHLORIDE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: