DECHLORO-(S-CYSTEINYL) BENDAMUSTINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H27ClN4O4S
Molecular Weight	442.96
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DECHLORO-(S-CYSTEINYL) BENDAMUSTINE

Structure Search

SMILES

CN1C(CCCC(O)=O)=NC2=C1C=CC(=C2)N(CCCl)CCSC[C@H](N)C(O)=O

InChI

InChIKey=RNESDNSXCCJHDL-AWEZNQCLSA-N

InChI=1S/C19H27ClN4O4S/c1-23-16-6-5-13(11-15(16)22-17(23)3-2-4-18(25)26)24(8-7-20)9-10-29-12-14(21)19(27)28/h5-6,11,14H,2-4,7-10,12,21H2,1H3,(H,25,26)(H,27,28)/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H27ClN4O4S
Molecular Weight	442.96
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:34:00 UTC 2023` Edited by `admin` on `Sat Dec 16 09:34:00 UTC 2023`
Record UNII	RA9E4M2LKL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DECHLORO-(S-CYSTEINYL) BENDAMUSTINE

Common Name

English

1H-BENZIMIDAZOLE-2-BUTANOIC ACID, 5-((2-(((2R)-2-AMINO-2-CARBOXYETHYL)THIO)ETHYL)(2-CHLOROETHYL)AMINO)-1-METHYL-

Systematic Name

English

Code System Code Type Description

FDA UNII

RA9E4M2LKL

Created by admin on Sat Dec 16 09:34:00 UTC 2023 , Edited by admin on Sat Dec 16 09:34:00 UTC 2023

PRIMARY

PUBCHEM

156028090

Created by admin on Sat Dec 16 09:34:00 UTC 2023 , Edited by admin on Sat Dec 16 09:34:00 UTC 2023

PRIMARY

CAS

862510-72-3

Created by admin on Sat Dec 16 09:34:00 UTC 2023 , Edited by admin on Sat Dec 16 09:34:00 UTC 2023

PRIMARY

Related Record Type Details


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BENDAMUSTINE

PARENT -> METABOLITE

Qualification:

URINE