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

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H11NO3.ClH
Molecular Weight 217.649
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Phenylisoserine hydrochloride, (2R,3S)-

SMILES

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

InChI

InChIKey=OTJZSGZNPDLQAJ-KZYPOYLOSA-N
InChI=1S/C9H11NO3.ClH/c10-7(8(11)9(12)13)6-4-2-1-3-5-6;/h1-5,7-8,11H,10H2,(H,12,13);1H/t7-,8+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C9H11NO3
Molecular Weight 181.1885
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:14:01 GMT 2025
Edited
by admin
on Wed Apr 02 21:14:01 GMT 2025
Record UNII
QTK5R6N7A9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2R,3S)-3-Phenylisoserine hydrochloride
Preferred Name English
3-Phenylisoserine hydrochloride, (2R,3S)-
Common Name English
Benzenepropanoic acid, ?-amino-?-hydroxy-, hydrochloride, (?R,?S)-
Systematic Name English
Benzenepropanoic acid, ?-amino-?-hydroxy-, hydrochloride, [R-(R*,S*)]-
Systematic Name English
(2R,3S)-3-Amino-2-hydroxy-3-phenylpropanoic acid hydrochloride
Systematic Name English
Benzenepropanoic acid, ?-amino-?-hydroxy-, hydrochloride (1:1), (?R,?S)-
Systematic Name English
Code System Code Type Description
CAS
132201-32-2
Created by admin on Wed Apr 02 21:14:01 GMT 2025 , Edited by admin on Wed Apr 02 21:14:01 GMT 2025
PRIMARY
FDA UNII
QTK5R6N7A9
Created by admin on Wed Apr 02 21:14:01 GMT 2025 , Edited by admin on Wed Apr 02 21:14:01 GMT 2025
PRIMARY
PUBCHEM
10878602
Created by admin on Wed Apr 02 21:14:01 GMT 2025 , Edited by admin on Wed Apr 02 21:14:01 GMT 2025
PRIMARY
EPA CompTox
DTXSID10564249
Created by admin on Wed Apr 02 21:14:01 GMT 2025 , Edited by admin on Wed Apr 02 21:14:01 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE