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136905-87-8

Basic Information
CAS No.: 136905-87-8
Name: PAZUFLOXACIN MESYLATE
Molecular Structure:
Molecular Structure of 136905-87-8 (PAZUFLOXACIN MESYLATE)
Formula: C16H15FN2O4.CH4O3S
Molecular Weight: 414.40
Synonyms: 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, monomethanesulfonate (9CI);
Boiling Point: 531.5°C at 760 mmHg
Flash Point: 275.2°C
PSA: 157.30000
LogP: 3.02510
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Specification

The Pazufloxacin Mesylate is an organic compound with the formula C17H19FN2O7S. The systematic name of this chemical is (3S)-10-(1-aminocyclopropyl)-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid methanesulfonate. With the CAS registry number 136905-87-8, it is also named as 7H-1,4-oxazino[2,3,4-ij]quinoline-6-carboxylic acid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (3S)-, methanesulfonate (1:1). The product's category is Active Pharmaceutical Ingredients.

Physical properties about Pazufloxacin Mesylate are: (1)ACD/LogP: 0.09; (2)ACD/LogD (pH 5.5): -1.94; (3)ACD/LogD (pH 7.4): -2.46; (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: 3; (11)Polar Surface Area: 59.08 Å2; (12)Flash Point: 275.2 °C; (13)Enthalpy of Vaporization: 84.94 kJ/mol; (14)Boiling Point: 531.5 °C at 760 mmHg; (15)Vapour Pressure: 4E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)C.Fc3cc1c2N(/C=C(\C1=O)C(=O)O)[C@H](COc2c3C4(N)CC4)C
(2)InChI: InChI=1/C16H15FN2O4.CH4O3S/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22;1-5(2,3)4/h4-5,7H,2-3,6,18H2,1H3,(H,21,22);1H3,(H,2,3,4)/t7-;/m0./s1
(3)InChIKey: UDHGFPATQWQARM-FJXQXJEOBD
(4)Std. InChI: InChI=1S/C16H15FN2O4.CH4O3S/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22;1-5(2,3)4/h4-5,7H,2-3,6,18H2,1H3,(H,21,22);1H3,(H,2,3,4)/t7-;/m0./s1
(5)Std. InChIKey: UDHGFPATQWQARM-FJXQXJEOSA-N