CYSTEMUSTINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H12ClN3O4S
Molecular Weight	257.695
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CYSTEMUSTINE

Structure Search

SMILES

CS(=O)(=O)CCNC(=O)N(CCCl)N=O

InChI

InChIKey=IUOVOJHLRFQQNS-UHFFFAOYSA-N

InChI=1S/C6H12ClN3O4S/c1-15(13,14)5-3-8-6(11)10(9-12)4-2-7/h2-5H2,1H3,(H,8,11)

HIDE SMILES / InChI

Molecular Formula	C6H12ClN3O4S
Molecular Weight	257.695
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 `Fri Dec 15 19:05:07 GMT 2023` Edited by `admin` on `Fri Dec 15 19:05:07 GMT 2023`
Record UNII	07G51A6FMA
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CYSTEMUSTINE

Common Name

English

UREA, N-(2-CHLOROETHYL)-N'-(2-(METHYLSULFONYL)ETHYL)-N-NITROSO-

Systematic Name

English

N-(2-CHLOROETHYL)-N'-(2-(METHYLSULFONYL)ETHYL)-N-NITROSOUREA

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C699

Created by admin on Fri Dec 15 19:05:07 GMT 2023 , Edited by admin on Fri Dec 15 19:05:07 GMT 2023

Code System Code Type Description

PUBCHEM

119545

Created by admin on Fri Dec 15 19:05:07 GMT 2023 , Edited by admin on Fri Dec 15 19:05:07 GMT 2023

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CAS

79955-36-5

Created by admin on Fri Dec 15 19:05:07 GMT 2023 , Edited by admin on Fri Dec 15 19:05:07 GMT 2023

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EPA CompTox

DTXSID60229972

Created by admin on Fri Dec 15 19:05:07 GMT 2023 , Edited by admin on Fri Dec 15 19:05:07 GMT 2023

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NCI_THESAURUS

C1167

Created by admin on Fri Dec 15 19:05:07 GMT 2023 , Edited by admin on Fri Dec 15 19:05:07 GMT 2023

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FDA UNII

07G51A6FMA

Created by admin on Fri Dec 15 19:05:07 GMT 2023 , Edited by admin on Fri Dec 15 19:05:07 GMT 2023

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