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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

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C17H17F2N3O3
Molecular Weight 349.332
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
In vitro activities of free and liposomal drugs against Mycobacterium avium-M. intracellulare complex and M. tuberculosis.
1993 Dec
Anti-Mycobacterium avium activity of quinolones: in vitro activities.
1993 Sep
In vitro anti-Mycobacterium avium activities of quinolones: predicted active structures and mechanistic considerations.
1994 Aug
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
The 2-pyridone antibacterial agents: bacterial topoisomerase inhibitors.
2000 Jul
Prediction of quinolone activity against Mycobacterium avium by molecular topology and virtual computational screening.
2000 Oct
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:03:37 GMT 2023
Edited
by admin
on Fri Dec 15 15:03:37 GMT 2023
Record UNII
REU1QTB262
Record Status Validated (UNII)
Record Version
  • Download
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
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