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

Approval Year

Unknown
139594
Name Type Language
2-CHLORO-3,4-DIHYDROXY-N-(2-PYRROLIDIN-1-YLETHYL)BENZAMIDE
Systematic Name English
PCBA
Common Name English
CEFIDEROCOL METABOLITE M2
Common Name English
PYRROLIDINE CHLOROBENZAMIDE
Common Name English
Code System Code Type Description
FDA UNII
G7YBJ2B7ML
Created by admin on Sat Dec 16 15:33:53 GMT 2023 , Edited by admin on Sat Dec 16 15:33:53 GMT 2023
PRIMARY
PUBCHEM
118402848
Created by admin on Sat Dec 16 15:33:53 GMT 2023 , Edited by admin on Sat Dec 16 15:33:53 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of CEFIDEROCOL
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966