Basic information
- Name:
Garenoxacin mesylate hydrate
- CAS No.:
223652-90-2
- Molecular Structure:
- Formula:
- C23H20F2N2O4.CH4O3S.H2O
- Molecular Weight:
- 540.53
- 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;
- Boiling Point:
- 581.5 °C at 760 mmHg
- Flash Point:
- 305.5 °C
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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