CAS No.138199-71-0,(S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid hydrate (2:1) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	138199-71-0
Name:	(S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid hydrate (2:1)
Article Data:	3

Formula:	2(C₁₈H₂₀FN₃O₄)^.H₂O
Molecular Weight:	740.761
Synonyms:	Dynaquin;Levofloxacin hemihydrate;7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylicacid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-, hydrate(2:1), (S)-;
EINECS:	604-067-2
Density:	1.48 g/cm³
Melting Point:	214-216 °C
Boiling Point:	571.5 °C at 760 mmHg
Flash Point:	299.4 °C
Appearance:	pale yellow solid
Hazard Symbols:	N
Risk Codes:	50/53
Safety:	24/25
PSA:	84.24000
LogP:	1.48260

Raw Materials

100986-89-8

109-01-3

Total:174 Page 1 of 5 1 2 3 4 5 Next>>

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Specification

The (S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid hydrate (2:1) , with cas registry number of 138199-71-0, belongs to the categories of Chiral Reagents; Antibiotic Explorer; Inhibitors; Intermediates & Fine. It is called Levofloxacin hydrate . Its systematic name is also called (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid hydrate .

Physical properties of (S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid hydrate (2:1) are: (1) ACD/LogP: 0.84 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): -1.17 ; (4) ACD/LogD (pH 7.4): -1.41 ; (5) ACD/BCF (pH 5.5): 1 ; (6) ACD/BCF (pH 7.4): 1 ; (7) ACD/KOC (pH 5.5): 1 ; (8) ACD/KOC (pH 7.4): 1 ; (9) #H bond acceptors: 7 ; (10) #H bond donors: 1 ; (11) #Freely Rotating Bonds: 2 ; (12) Flash Point: 299.4 °C ; (13) Enthalpy of Vaporization: 90.15 kJ/mol ; (14) Boiling Point: 571.5 °C at 760 mmHg ; (15) Vapour Pressure: 6.7E-14 mmHg at 25°C.

Uses of (S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid hydrate (2:1) : This chemical has been used as an antibiotic against gram-negative organisms.

When you are using this chemical, please be cautious about it as the following:
The (S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid hydrate (2:1) is a pale yellow solid. Avoid contact with skin and eyes when use it.

You can still convert the following datas into molecular structure:
(1) SMILES:Fc4cc2c1c(OC[C@@H](N1/C=C(/C(=O)O)C2=O)C)c4N3CCN(C)CC3.Fc4cc1c2N(/C=C(\C1=O)C(=O)O)[C@H](COc2c4N3CCN(C)CC3)C.O;
(2) InChI:InChI=1/2C18H20FN3O4.H2O/c2*1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21;/h2*7-8,10H,3-6,9H2,1-2H3,(H,24,25);1H2/t2*10-;/m00./s1;
(3) InChIKey:SUIQUYDRLGGZOL-RCWTXCDDBW

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(S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid hydrate (2:1)