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

Details

Stereochemistry RACEMIC
Molecular Formula C10H10ClNO5
Molecular Weight 259.643
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4?-Chlorotartranilic acid, (R,R)-rel-

SMILES

O[C@H]([C@@H](O)C(=O)NC1=CC=C(Cl)C=C1)C(O)=O

InChI

InChIKey=JLBJYGCSAOHRPK-HTQZYQBOSA-N
InChI=1S/C10H10ClNO5/c11-5-1-3-6(4-2-5)12-9(15)7(13)8(14)10(16)17/h1-4,7-8,13-14H,(H,12,15)(H,16,17)/t7-,8-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Butanoic acid, 4-[(4-chlorophenyl)amino]-2,3-dihydroxy-4-oxo-, (2R,3R)-rel-
Preferred Name English
4?-Chlorotartranilic acid, (R,R)-rel-
Common Name English
rel-(2R,3R)-4-[(4-Chlorophenyl)amino]-2,3-dihydroxy-4-oxobutanoic acid
Systematic Name English
Code System Code Type Description
FDA UNII
76D9XXV7PK
Created by admin on Wed Apr 02 19:34:07 GMT 2025 , Edited by admin on Wed Apr 02 19:34:07 GMT 2025
PRIMARY
CAS
748753-38-0
Created by admin on Wed Apr 02 19:34:07 GMT 2025 , Edited by admin on Wed Apr 02 19:34:07 GMT 2025
PRIMARY
CAS
19523-84-3
Created by admin on Wed Apr 02 19:34:07 GMT 2025 , Edited by admin on Wed Apr 02 19:34:07 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY