CAS No.405165-61-9,Besifloxacin hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	405165-61-9
Name:	Besifloxacin hydrochloride

Formula:	C₁₉H₂₁ClFN₃O₃^.HCl
Molecular Weight:	430.31
Synonyms:	(R)-7-(3-Aminohexahydro-1H-azepin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid hydrochloride;(+)-7-((3R)-3-Aminohexahydro-1H-azepin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride;BOL-303224-A;Besifloxacin HCl;Besivance;UNII-7506A6J57T;
EINECS:	696-612-6
Melting Point:	>210 °C (dec.)
Boiling Point:	607 °C at 760 mmHg
Flash Point:	320.9 °C
Appearance:	Pale yellow solid
PSA:	88.56000
LogP:	4.71200

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Specification

The Besifloxacin hydrochloride is an organic compound with the formula C₁₉H₂₁ClFN₃O₃^.HCl. The IUPAC name of this chemical is 7-[(3R)-3-aminoazepan-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid hydrochloride. With the CAS registry number 405165-61-9, it is also named as (R)-7-(3-Aminohexahydro-1H-azepin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid hydrochloride.

Physical properties about Besifloxacin hydrochloride are: (1)ACD/LogP: 1.91; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 53.09 Å²; (12)Flash Point: 320.9 °C; (13)Enthalpy of Vaporization: 94.85 kJ/mol; (14)Boiling Point: 607 °C at 760 mmHg; (15)Vapour Pressure: 1.38E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Fc1c(c(Cl)c2c(c1)C(=O)C(\C(=O)O)=C/N2C3CC3)N4CCCC[C@@H](N)C4
(2)InChI: InChI=1/C19H21ClFN3O3.ClH/c20-15-16-12(18(25)13(19(26)27)9-24(16)11-4-5-11)7-14(21)17(15)23-6-2-1-3-10(22)8-23;/h7,9-11H,1-6,8,22H2,(H,26,27);1H/t10-;/m1./s1
(3)InChIKey: PMQBICKXAAKXAY-HNCPQSOCBP
(4)Std. InChI: InChI=1S/C19H21ClFN3O3.ClH/c20-15-16-12(18(25)13(19(26)27)9-24(16)11-4-5-11)7-14(21)17(15)23-6-2-1-3-10(22)8-23;/h7,9-11H,1-6,8,22H2,(H,26,27);1H/t10-;/m1./s1
(5)Std. InChIKey: PMQBICKXAAKXAY-HNCPQSOCSA-N