garenoxacin mesylate hydrate

garenoxacin mesylate hydrate

CAS: 223652-90-2

Formula: C24H26F2N2O8S

SMILES: O.CS(O)(=O)=O.C[C@H]1NCC2=C1C=CC(=C2)C1=CC=C2C(=O)C(=CN(C3CC3)C2=C1OC(F)F)C(O)=O

IUPAC: 1-cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid methanesulfonic acid hydrate

InChI: InChI=1S/C23H20F2N2O4.CH4O3S.H2O/c1-11-15-5-2-12(8-13(15)9-26-11)16-6-7-17-19(21(16)31-23(24)25)27(14-3-4-14)10-18(20(17)28)22(29)30;1-5(2,3)4;/h2,5-8,10-11,14,23,26H,3-4,9H2,1H3,(H,29,30);1H3,(H,2,3,4);1H2/t11-;;/m1../s1

Composition: C (53.33%), H (4.85%), F (7.03%), N (5.18%), O (23.68%), S (5.93%)

Molar Mass: 540.53

Atom Count: 63

Heavy Atom Count: 37

Properties

Properties

Common Names	garenoxacin mesylate hydrate
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	540.137793305
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	IGTHEWGRXUAFKF-NVJADKKVSA-N
Lipinski's Rule of Five
Molar Refractivity	110.37
Topological Polar Surface Area	78.87
Polarizability	42.43
Ring Count	5
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.78%	<7 Days	223652-90-2		$89.76-$542.30$89.76$96.31$336.60$542.30