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

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H10N2O4.ClH
Molecular Weight 246.648
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Nitrophenylalanine hydrochloride, D-

SMILES

Cl.N[C@H](CC1=CC=CC(=C1)[N+]([O-])=O)C(O)=O

InChI

InChIKey=CEBCXIZYRLCPAE-DDWIOCJRSA-N
InChI=1S/C9H10N2O4.ClH/c10-8(9(12)13)5-6-2-1-3-7(4-6)11(14)15;/h1-4,8H,5,10H2,(H,12,13);1H/t8-;/m1./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H10N2O4
Molecular Weight 210.1867
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:31:47 GMT 2025
Edited
by admin
on Wed Apr 02 20:31:47 GMT 2025
Record UNII
DRM2GF46A7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Nitrophenylalanine hydrochloride, D-
Systematic Name English
(2R)-2-Amino-3-(3-nitrophenyl)propanoic acid hydrochloride
Preferred Name English
D-Phenylalanine, 3-nitro-, monohydrochloride
Systematic Name English
Code System Code Type Description
CAS
170157-53-6
Created by admin on Wed Apr 02 20:31:47 GMT 2025 , Edited by admin on Wed Apr 02 20:31:47 GMT 2025
PRIMARY
PUBCHEM
22871527
Created by admin on Wed Apr 02 20:31:47 GMT 2025 , Edited by admin on Wed Apr 02 20:31:47 GMT 2025
PRIMARY
FDA UNII
DRM2GF46A7
Created by admin on Wed Apr 02 20:31:47 GMT 2025 , Edited by admin on Wed Apr 02 20:31:47 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
PARENT -> SALT/SOLVATE