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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H17ClN2O3
Molecular Weight 284.739
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-CHLORO-3,4-DIHYDROXY-N-(2-PYRROLIDIN-1-YLETHYL)BENZAMIDE

SMILES

OC1=C(O)C(Cl)=C(C=C1)C(=O)NCCN2CCCC2

InChI

InChIKey=NDJAJLKLDSMLNZ-UHFFFAOYSA-N
InChI=1S/C13H17ClN2O3/c14-11-9(3-4-10(17)12(11)18)13(19)15-5-8-16-6-1-2-7-16/h3-4,17-18H,1-2,5-8H2,(H,15,19)

HIDE SMILES / InChI

Molecular Formula C13H17ClN2O3
Molecular Weight 284.739
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 05:52:02 GMT 2025
Edited
by admin
on Wed Apr 02 05:52:02 GMT 2025
Record UNII
G7YBJ2B7ML
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEFIDEROCOL METABOLITE M2
Preferred Name English
2-CHLORO-3,4-DIHYDROXY-N-(2-PYRROLIDIN-1-YLETHYL)BENZAMIDE
Systematic Name English
PCBA
Common Name English
PYRROLIDINE CHLOROBENZAMIDE
Common Name English
Code System Code Type Description
FDA UNII
G7YBJ2B7ML
Created by admin on Wed Apr 02 05:52:02 GMT 2025 , Edited by admin on Wed Apr 02 05:52:02 GMT 2025
PRIMARY
PUBCHEM
118402848
Created by admin on Wed Apr 02 05:52:02 GMT 2025 , Edited by admin on Wed Apr 02 05:52:02 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA
PARENT -> METABOLITE
FECAL
PARENT -> METABOLITE
URINE