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Details

Stereochemistry ACHIRAL
Molecular Formula C6H10ClN3O4
Molecular Weight 223.614
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[[2-Chloroethyl(nitroso)carbamoyl]amino]propanoic acid

SMILES

OC(=O)CCNC(=O)N(CCCl)N=O

InChI

InChIKey=FPGDVNUVVGJFDT-UHFFFAOYSA-N
InChI=1S/C6H10ClN3O4/c7-2-4-10(9-14)6(13)8-3-1-5(11)12/h1-4H2,(H,8,13)(H,11,12)

HIDE SMILES / InChI

Molecular Formula C6H10ClN3O4
Molecular Weight 223.614
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 Sat Dec 16 12:42:15 GMT 2023
Edited
by admin
on Sat Dec 16 12:42:15 GMT 2023
Record UNII
MMW4N8C2CT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[[2-Chloroethyl(nitroso)carbamoyl]amino]propanoic acid
Systematic Name English
N-[[(2-Chloroethyl)nitrosoamino]carbonyl]-β-alanine
Systematic Name English
1-(2-Chloroethyl)-1-nitroso-3-(2-carboxyethyl)-urea
Systematic Name English
BETA-ALANINE, N-((2-CHLOROETHYL)NITROSOCARBAMOYL)-
Systematic Name English
NSC-356543
Code English
Code System Code Type Description
EPA CompTox
DTXSID20229973
Created by admin on Sat Dec 16 12:42:15 GMT 2023 , Edited by admin on Sat Dec 16 12:42:15 GMT 2023
PRIMARY
NSC
356543
Created by admin on Sat Dec 16 12:42:15 GMT 2023 , Edited by admin on Sat Dec 16 12:42:15 GMT 2023
PRIMARY
CAS
79955-38-7
Created by admin on Sat Dec 16 12:42:15 GMT 2023 , Edited by admin on Sat Dec 16 12:42:15 GMT 2023
PRIMARY
FDA UNII
MMW4N8C2CT
Created by admin on Sat Dec 16 12:42:15 GMT 2023 , Edited by admin on Sat Dec 16 12:42:15 GMT 2023
PRIMARY
PUBCHEM
100737
Created by admin on Sat Dec 16 12:42:15 GMT 2023 , Edited by admin on Sat Dec 16 12:42:15 GMT 2023
PRIMARY