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Garenoxacin mesylate hydrate

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Name

Garenoxacin mesylate hydrate

EINECS N/A
CAS No. 223652-90-2 Density N/A
PSA 152.54000 LogP 5.31650
Solubility N/A Melting Point N/A
Formula C23H20F2N2O4.CH4O3S.H2O Boiling Point 581.5 °C at 760 mmHg
Molecular Weight 540.53 Flash Point 305.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 223652-90-2 (Garenoxacin) Hazard Symbols N/A
Synonyms

Garenoxacin mesylate [USAN];BMS-284756-01;1-cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxo-quinoline-3-carboxylic acid; methanesulfonic acid; hydrate;1-Cyclopropyl-8-(difluoromethoxy)-7-((1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid monomethanesulfonate monohydrate;3-Quinolinecarboxylic acid, 1-cyclopropyl-8-(difluoromethoxy)-7-((1R)-2,3-dihydro-1-methyl-1H-isoindol-5-yl)-1,4-dihydro-4-oxo-, monomethanesulfonate, monohydrate;Garenoxacin Mesylate;

 

Garenoxacin mesylate hydrate Specification

The CAS register number of Garenoxacin mesylate hydrate is 223652-90-2. It also can be called as 3-Quinolinecarboxylic acid, 1-cyclopropyl-8-(difluoromethoxy)-7-((1R)-2,3-dihydro-1-methyl-1H-isoindol-5-yl)-1,4-dihydro-4-oxo-, monomethanesulfonate, monohydrate and the IUPAC name about this chemical is 1-cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxoquinoline-3-carboxylic acid; methanesulfonic acid; hydrate. The molecular formula about this chemical is C23H20F2N2O4.CH4O3S.H2O and the molecular weight is 540.53. Classification code about this chemical are Antibacterial and Antibacterial agent.

Physical properties about Garenoxacin mesylate hydrate are: (1)ACD/LogP: 2.28; (2)ACD/LogD (pH 5.5): -0.47; (3)ACD/LogD (pH 7.4): -0.06; (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): 1.87; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 59.08Å2; (12)Flash Point: 305.5 °C; (13)Enthalpy of Vaporization: 91.47 kJ/mol; (14)Boiling Point: 581.5 °C at 760 mmHg; (15)Vapour Pressure: 2.29E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)C.FC(F)Oc1c(ccc2c1N(/C=C(\C2=O)C(=O)O)C3CC3)c4ccc5c(c4)CN[C@@H]5C.O
(2)InChI: InChI=1/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
(3)InChIKey: IGTHEWGRXUAFKF-NVJADKKVBT
(4)Std. 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
(5)Std. InChIKey: IGTHEWGRXUAFKF-NVJADKKVSA-N

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