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Pazufloxacin mesilate

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Name

Pazufloxacin mesilate

EINECS 634-946-6
CAS No. 163680-77-1 Density N/A
PSA 157.30000 LogP 3.02510
Solubility N/A Melting Point >255 °C (dec.)
Formula C16H15FN2O4.CH4O3S Boiling Point 531.5 °C at 760 mmHg
Molecular Weight 414.41 Flash Point 275.2 °C
Transport Information N/A Appearance crystalline solid
Safety 26-45-36/37/39-16 Risk Codes 36/37/38-34-11
Molecular Structure Molecular Structure of 163680-77-1 (Pazufloxacin mesilate) Hazard Symbols IrritantXi,CorrosiveC,FlammableF
Synonyms

(-)-(3S)-10-(1-Aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylicacid;7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylicacid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (3S)-;

 

Pazufloxacin mesilate Specification

The Pazufloxacin mesilate, with the CAS registry number 163680-77-1, is also known as 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylicacid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (3S)-. It belongs to the product categories of API; Intermediates & Fine Chemicals; Pharmaceuticals; Amines; Aromatics; Chiral Reagents. This chemical's molecular formula is C16H15FN2O4.CH4O3S and molecular weight is 414.41. What's more, its systematic name 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 (1:1). This chemical is a total synthetic quinolone antibiotic used to treat diseases caused by a variety of bacterial infections.

Physical properties of Pazufloxacin mesilate are: (1)ACD/LogP: 0.6; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.90; (4)ACD/LogD (pH 7.4): -2.90; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 7 #H ; (10)bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 109.36 Å2.

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable, so you should keep it away from sources of ignition - No smoking. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

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)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
(3)Std. InChIKey: UDHGFPATQWQARM-FJXQXJEOSA-N

The toxicity data is as follows:  

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 521mg/kg (521mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Japanese Journal of Antibiotics. Vol. 51, Pg. 583, 1998.
monkey LDLo intravenous 520mg/kg (520mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Japanese Journal of Antibiotics. Vol. 51, Pg. 583, 1998.
rat LDLo intravenous 391mg/kg (391mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Japanese Journal of Antibiotics. Vol. 51, Pg. 583, 1998.

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