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Details

Stereochemistry RACEMIC
Molecular Formula C17H17F2N3O3
Molecular Weight 349.332
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PD-117596

SMILES

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

InChI

InChIKey=UHBXZNXCIZHGFF-UHFFFAOYSA-N
InChI=1S/C17H17F2N3O3/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)

HIDE SMILES / InChI

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
In vitro anti-Mycobacterium avium activities of quinolones: predicted active structures and mechanistic considerations.
1994 Aug
Structure-activity relationships of quinolone agents against mycobacteria: effect of structural modifications at the 8 position.
1996 Oct
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:41:00 GMT 2023
Edited
by admin
on Sat Dec 16 05:41:00 GMT 2023
Record UNII
OPH24O2PWB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PD-117596
Common Name English
3-QUINOLINECARBOXYLIC ACID, 7-(3-AMINO-1-PYRROLIDINYL)-1-CYCLOPROPYL-6,8-DIFLUORO-1,4-DIHYDRO-4-OXO-
Common Name English
7-(3-AMINO-1-PYRROLIDINYL)-1-CYCLOPROPYL-6,8-DIFLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLINECARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
OPH24O2PWB
Created by admin on Sat Dec 16 05:41:00 GMT 2023 , Edited by admin on Sat Dec 16 05:41:00 GMT 2023
PRIMARY
CAS
99734-98-2
Created by admin on Sat Dec 16 05:41:00 GMT 2023 , Edited by admin on Sat Dec 16 05:41:00 GMT 2023
PRIMARY
PUBCHEM
122796
Created by admin on Sat Dec 16 05:41:00 GMT 2023 , Edited by admin on Sat Dec 16 05:41:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID00912518
Created by admin on Sat Dec 16 05:41:00 GMT 2023 , Edited by admin on Sat Dec 16 05:41:00 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY