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Details

Stereochemistry RACEMIC
Molecular Formula C17H17F2N3O3.ClH
Molecular Weight 385.793
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PD-117596 HYDROCHLORIDE

SMILES

Cl.NC1CCN(C1)C2=C(F)C3=C(C=C2F)C(=O)C(=CN3C4CC4)C(O)=O

InChI

InChIKey=UVQHUSOZEFWVIY-UHFFFAOYSA-N
InChI=1S/C17H17F2N3O3.ClH/c18-12-5-10-14(13(19)15(12)21-4-3-8(20)6-21)22(9-1-2-9)7-11(16(10)23)17(24)25;/h5,7-9H,1-4,6,20H2,(H,24,25);1H

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Structure-activity relationships of quinolone agents against mycobacteria: effect of structural modifications at the 8 position.
1996 Oct
Prediction of quinolone activity against Mycobacterium avium by molecular topology and virtual computational screening.
2000 Oct
Patents

Patents

Name Type Language
PD-117596 HYDROCHLORIDE
Common Name English
3-QUINOLINECARBOXYLIC ACID, 7-(3-AMINO-1-PYRROLIDINYL)-1-CYCLOPROPYL-6,8-DIFLUORO-1,4-DIHYDRO-4-OXO-, HYDROCHLORIDE (1:1)
Common Name English
Code System Code Type Description
FDA UNII
REU1QTB262
Created by admin on Fri Dec 15 15:03:37 GMT 2023 , Edited by admin on Fri Dec 15 15:03:37 GMT 2023
PRIMARY
PUBCHEM
13590048
Created by admin on Fri Dec 15 15:03:37 GMT 2023 , Edited by admin on Fri Dec 15 15:03:37 GMT 2023
PRIMARY
CAS
106797-94-8
Created by admin on Fri Dec 15 15:03:37 GMT 2023 , Edited by admin on Fri Dec 15 15:03:37 GMT 2023
PRIMARY