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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H10ClN3O3
Molecular Weight 207.615
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-Oxopropyl)-1-nitroso-3-(2-chloroethyl)urea

SMILES

CC(=O)CN(N=O)C(=O)NCCCl

InChI

InChIKey=KTTAHABZUYACCH-UHFFFAOYSA-N
InChI=1S/C6H10ClN3O3/c1-5(11)4-10(9-13)6(12)8-3-2-7/h2-4H2,1H3,(H,8,12)

HIDE SMILES / InChI

Molecular Formula C6H10ClN3O3
Molecular Weight 207.615
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 Mon Mar 31 22:12:23 GMT 2025
Edited
by admin
on Mon Mar 31 22:12:23 GMT 2025
Record UNII
89UXX85ALD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N?-(2-Chloroethyl)-N-nitroso-N-(2-oxopropyl)urea
Preferred Name English
1-(2-Oxopropyl)-1-nitroso-3-(2-chloroethyl)urea
Systematic Name English
Urea, N?-(2-chloroethyl)-N-nitroso-N-(2-oxopropyl)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID0021090
Created by admin on Mon Mar 31 22:12:23 GMT 2025 , Edited by admin on Mon Mar 31 22:12:23 GMT 2025
PRIMARY
CAS
110559-85-8
Created by admin on Mon Mar 31 22:12:23 GMT 2025 , Edited by admin on Mon Mar 31 22:12:23 GMT 2025
PRIMARY
FDA UNII
89UXX85ALD
Created by admin on Mon Mar 31 22:12:23 GMT 2025 , Edited by admin on Mon Mar 31 22:12:23 GMT 2025
PRIMARY
PUBCHEM
135720
Created by admin on Mon Mar 31 22:12:23 GMT 2025 , Edited by admin on Mon Mar 31 22:12:23 GMT 2025
PRIMARY