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Details

Stereochemistry RACEMIC
Molecular Formula C6H10ClN3O4
Molecular Weight 223.614
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(2-CHLOROETHYL)-1-NITROSOCARBAMOYLALANINE

SMILES

CC(NC(=O)N(CCCl)N=O)C(O)=O

InChI

InChIKey=ORNLZEDGUXUSMV-UHFFFAOYSA-N
InChI=1S/C6H10ClN3O4/c1-4(5(11)12)8-6(13)10(9-14)3-2-7/h4H,2-3H2,1H3,(H,8,13)(H,11,12)

HIDE SMILES / InChI

Molecular Formula C6H10ClN3O4
Molecular Weight 223.614
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:03:39 GMT 2025
Edited
by admin
on Tue Apr 01 20:03:39 GMT 2025
Record UNII
RQ7DG77PZJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(2-CHLOROETHYL)-1-NITROSOCARBAMOYLALANINE
Common Name English
NSC-171564
Preferred Name English
N-[[(2-Chloroethyl)nitrosoamino]carbonyl]alanine
Common Name English
DL-Alanine, N-[[(2-chloroethyl)nitrosoamino]carbonyl]-
Common Name English
Alanine, N-[[(2-chloroethyl)nitrosoamino]carbonyl]-
Common Name English
Code System Code Type Description
PUBCHEM
40312
Created by admin on Tue Apr 01 20:03:39 GMT 2025 , Edited by admin on Tue Apr 01 20:03:39 GMT 2025
PRIMARY
CAS
52320-86-2
Created by admin on Tue Apr 01 20:03:39 GMT 2025 , Edited by admin on Tue Apr 01 20:03:39 GMT 2025
PRIMARY
NSC
171564
Created by admin on Tue Apr 01 20:03:39 GMT 2025 , Edited by admin on Tue Apr 01 20:03:39 GMT 2025
PRIMARY
FDA UNII
RQ7DG77PZJ
Created by admin on Tue Apr 01 20:03:39 GMT 2025 , Edited by admin on Tue Apr 01 20:03:39 GMT 2025
PRIMARY