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Details

Stereochemistry RACEMIC
Molecular Formula C11H11Cl2NO3
Molecular Weight 276.116
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 2-AMINO-4-(3,4-DICHLOROPHENYL)-4-OXOBUTANOATE

SMILES

COC(=O)C(N)CC(=O)C1=CC=C(Cl)C(Cl)=C1

InChI

InChIKey=YTPAAFAUNSLSJY-UHFFFAOYSA-N
InChI=1S/C11H11Cl2NO3/c1-17-11(16)9(14)5-10(15)6-2-3-7(12)8(13)4-6/h2-4,9H,5,14H2,1H3

HIDE SMILES / InChI

Molecular Formula C11H11Cl2NO3
Molecular Weight 276.116
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 Mon Mar 31 21:38:47 GMT 2025
Edited
by admin
on Mon Mar 31 21:38:47 GMT 2025
Record UNII
RE6T5F5CZ4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 2-AMINO-4-(3,4-DICHLOROPHENYL)-4-OXOBUTANOATE
Systematic Name English
PNU-157678 FREE BASE
Preferred Name English
BENZENEBUTANOIC ACID, .ALPHA.-AMINO-3,4-DICHLORO-.GAMMA.-OXO-, METHYL ESTER
Systematic Name English
METHYL .ALPHA.-AMINO-3,4-DICHLORO-.GAMMA.-OXOBENZENEBUTANOATE
Systematic Name English
Code System Code Type Description
CAS
202802-46-8
Created by admin on Mon Mar 31 21:38:47 GMT 2025 , Edited by admin on Mon Mar 31 21:38:47 GMT 2025
PRIMARY
PUBCHEM
9860382
Created by admin on Mon Mar 31 21:38:47 GMT 2025 , Edited by admin on Mon Mar 31 21:38:47 GMT 2025
PRIMARY
FDA UNII
RE6T5F5CZ4
Created by admin on Mon Mar 31 21:38:47 GMT 2025 , Edited by admin on Mon Mar 31 21:38:47 GMT 2025
PRIMARY
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