CAS 144194-96-7 | 3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-, hydrochloride (1:1) | CAS Number 144194-96-7

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Carboxes > 144194-96-7

144194-96-7 | 3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-, hydrochloride (1:1)

CAS No: 144194-96-7 Catalog No: AG001J45 MDL No:

Product Description

Catalog Number:

AG001J45

Chemical Name:

3-Quinolinecarboxylic acid, 8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-, hydrochloride (1:1)

CAS Number:

144194-96-7

Molecular Formula:

C20H22Cl2FN3O3

Molecular Weight:

442.3114

IUPAC Name:

7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride

InChI:

InChI=1S/C20H21ClFN3O3.ClH/c21-16-17-12(19(26)13(20(27)28)8-25(17)11-3-4-11)6-14(22)18(16)24-7-10-2-1-5-23-15(10)9-24;/h6,8,10-11,15,23H,1-5,7,9H2,(H,27,28);1H/t10-,15+;/m0./s1

InChI Key:

IDCUHOXUSMHTOK-OEQYQXMYSA-N

SMILES:

Fc1cc2c(=O)c(cn(c2c(c1N1C[C@@H]2[C@H](C1)CCCN2)Cl)C1CC1)C(=O)O.Cl

UNII:

MS2O1A809W

Properties

Complexity:

715

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

441.102g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

442.312g/mol

Monoisotopic Mass:

441.102g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Real-time visualization of photochemically induced fluorescence of 8-halogenated quinolones: lomefloxacin, clinafloxacin and Bay3118 in live human HaCaT keratinocytes.	Photochemistry and photobiology 20100101
Fluoroquinolones as chemical tools to define a strategy for photogenotoxicity in vitro assessment.	Toxicology in vitro : an international journal published in association with BIBRA 20010401
Comparative in vitro and in vivo activity of the C-8 methoxy quinolone moxifloxacin and the C-8 chlorine quinolone BAY y 3118.	Clinical infectious diseases : an official publication of the Infectious Diseases Society of America 20010315
Isolation of two subpopulations of Mycobacterium avium within human macrophages.	FEMS microbiology letters 19990901
Activities of bay Y 3118, levofloxacin, and ofloxacin alone or in combination with ethambutol against Mycobacterium avium complex in vitro, in human macrophages, and in beige mice.	Antimicrobial agents and chemotherapy 19960301
Comparative in-vitro activity of Bay y 3118, a new quinolone, and ciprofloxacin against Mycobacterium tuberculosis and Mycobacterium avium complex.	The Journal of antimicrobial chemotherapy 19950201
In vitro antibacterial activity of the new quinolone Bay y3118 against clinical isolates.	Journal of chemotherapy (Florence, Italy) 19941201
Comparative in-vitro activities of the new quinolone, Bay y 3118, and ciprofloxacin, sparfloxacin, tosufloxacin, CI-960 and CI-990.	The Journal of antimicrobial chemotherapy 19930401