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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
Activity of quinolones against mycobacteria.
1995
Comparison of the activity of fluoroquinolones against Mycobacterium avium in cell-free systems and a human monocyte in-vitro infection model.
1996 Mar
Structure-activity relationships of quinolone agents against mycobacteria: effect of structural modifications at the 8 position.
1996 Oct
Activity of new quinolones against intracellular Mycobacterium avium in human monocytes.
1997 Dec
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