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Details

Stereochemistry ACHIRAL
Molecular Formula C14H15NO4
Molecular Weight 261.2732
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL 1-BENZYL-3-HYDROXY-2(5H)-OXOPYRROLE-4-CARBOXYLATE

SMILES

CCOC(=O)C1=C(O)C(=O)N(CC2=CC=CC=C2)C1

InChI

InChIKey=IGYRPDIWSYGHMY-UHFFFAOYSA-N
InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,16H,2,8-9H2,1H3

HIDE SMILES / InChI

Molecular Formula C14H15NO4
Molecular Weight 261.2732
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P15121
Gene ID: 231.0
Gene Symbol: AKR1B1
Target Organism: Homo sapiens (Human)
Substance Class Chemical
Created
by admin
on Sat Dec 16 12:58:42 GMT 2023
Edited
by admin
on Sat Dec 16 12:58:42 GMT 2023
Record UNII
MW8LQ9P85C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL 1-BENZYL-3-HYDROXY-2(5H)-OXOPYRROLE-4-CARBOXYLATE
Common Name English
1H-PYRROLE-3-CARBOXYLIC ACID, 2,5-DIHYDRO-4-HYDROXY-5-OXO-1-(PHENYLMETHYL)-, ETHYL ESTER
Systematic Name English
EBPC
Common Name English
NSC-229530
Code English
Code System Code Type Description
PUBCHEM
54677973
Created by admin on Sat Dec 16 12:58:42 GMT 2023 , Edited by admin on Sat Dec 16 12:58:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID50196205
Created by admin on Sat Dec 16 12:58:42 GMT 2023 , Edited by admin on Sat Dec 16 12:58:42 GMT 2023
PRIMARY
FDA UNII
MW8LQ9P85C
Created by admin on Sat Dec 16 12:58:42 GMT 2023 , Edited by admin on Sat Dec 16 12:58:42 GMT 2023
PRIMARY
CAS
4450-98-0
Created by admin on Sat Dec 16 12:58:42 GMT 2023 , Edited by admin on Sat Dec 16 12:58:42 GMT 2023
PRIMARY
NSC
229530
Created by admin on Sat Dec 16 12:58:42 GMT 2023 , Edited by admin on Sat Dec 16 12:58:42 GMT 2023
PRIMARY