U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H18ClN3O4
Molecular Weight 291.731
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[[2-chloroethyl(nitroso)carbamoyl]-methylamino]cyclohexane

SMILES

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

InChI

InChIKey=DCZXFFVFQJNEQG-DTORHVGOSA-N
InChI=1S/C11H18ClN3O4/c1-14(11(18)15(13-19)7-6-12)9-4-2-8(3-5-9)10(16)17/h8-9H,2-7H2,1H3,(H,16,17)/t8-,9+

HIDE SMILES / InChI

Molecular Formula C11H18ClN3O4
Molecular Weight 291.731
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 20:02:07 GMT 2025
Edited
by admin
on Tue Apr 01 20:02:07 GMT 2025
Record UNII
H3BE3JJK75
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[[2-chloroethyl(nitroso)carbamoyl]-methylamino]cyclohexane
Systematic Name English
NSC-260598
Preferred Name English
Cyclohexanecarboxylic acid, 4-[[[(2-chloroethyl)nitrosoamino]carbonyl]methylamino]-, cis-
Systematic Name English
4-((((2-CHLOROETHYL)NITROSOAMINO)CARBONYL)METHYLAMINO)CYCLOHEXANECARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
NSC
260598
Created by admin on Tue Apr 01 20:02:07 GMT 2025 , Edited by admin on Tue Apr 01 20:02:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID701007709
Created by admin on Tue Apr 01 20:02:07 GMT 2025 , Edited by admin on Tue Apr 01 20:02:07 GMT 2025
PRIMARY
FDA UNII
H3BE3JJK75
Created by admin on Tue Apr 01 20:02:07 GMT 2025 , Edited by admin on Tue Apr 01 20:02:07 GMT 2025
PRIMARY
CAS
87640-31-1
Created by admin on Tue Apr 01 20:02:07 GMT 2025 , Edited by admin on Tue Apr 01 20:02:07 GMT 2025
PRIMARY