N?-[trans-4-[(Acetyloxy)methyl]cyclohexyl]-N-(2-chloroethyl)-N-nitrosourea

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H20ClN3O4
Molecular Weight	305.758
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N?-[trans-4-[(Acetyloxy)methyl]cyclohexyl]-N-(2-chloroethyl)-N-nitrosourea

Structure Search

SMILES

CC(=O)OC[C@H]1CC[C@@H](CC1)NC(=O)N(CCCl)N=O

InChI

InChIKey=GSUNXHODQPCMLL-XYPYZODXSA-N

InChI=1S/C12H20ClN3O4/c1-9(17)20-8-10-2-4-11(5-3-10)14-12(18)16(15-19)7-6-13/h10-11H,2-8H2,1H3,(H,14,18)/t10-,11-

HIDE SMILES / InChI

Molecular Formula	C12H20ClN3O4
Molecular Weight	305.758
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 `Tue Apr 01 19:56:50 GMT 2025` Edited by `admin` on `Tue Apr 01 19:56:50 GMT 2025`
Record UNII	B2ZYP3QG8G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-166549

Preferred Name

English

N?-[trans-4-[(Acetyloxy)methyl]cyclohexyl]-N-(2-chloroethyl)-N-nitrosourea

Systematic Name

English

ACETIC ACID, (4-(3-(2-CHLOROETHYL)-3-NITROSOUREIDO)CYCLOHEXYL)METHYL ESTER, (E)-

Common Name

English

Urea, N?-[trans-4-[(acetyloxy)methyl]cyclohexyl]-N-(2-chloroethyl)-N-nitroso-

Common Name

English

Urea, N?-[4-[(acetyloxy)methyl]cyclohexyl]-N-(2-chloroethyl)-N-nitroso-, trans-

Common Name

English

Code System Code Type Description

CAS

61137-49-3

Created by admin on Tue Apr 01 19:56:50 GMT 2025 , Edited by admin on Tue Apr 01 19:56:50 GMT 2025

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EPA CompTox

DTXSID00876984

Created by admin on Tue Apr 01 19:56:50 GMT 2025 , Edited by admin on Tue Apr 01 19:56:50 GMT 2025

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NSC

166549

Created by admin on Tue Apr 01 19:56:50 GMT 2025 , Edited by admin on Tue Apr 01 19:56:50 GMT 2025

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FDA UNII

B2ZYP3QG8G

Created by admin on Tue Apr 01 19:56:50 GMT 2025 , Edited by admin on Tue Apr 01 19:56:50 GMT 2025

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