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Ofloxacin(CAS No. 82419-36-1)

Ofloxacin C18H20FN3O4 (cas 82419-36-1) Molecular Structure

82419-36-1 Structure

Identification and Related Records

【Name】
Ofloxacin
【CAS Registry number】
82419-36-1
【Synonyms】
Exocin
Floxin (TN)
HOE 280
(+/-)-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
Tarivid
DL-8280
Visiren
Prestwick_600
DL 8280
Ocuflox
OFX
Ofloxacin (JP14/USP)
ORF 18489
Floxin
OFLX
7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6- carboxylic acid,9-fluoro-2,3-dihydro-3- methyl-10-(4-methyl-1-piperazinyl)-7-oxo-
Ofloxacin (COS)
Levoflxacin
【Molecular Formula】
C18H20FN3O4 (Products with the same molecular formula)
【Molecular Weight】
361.367503
【Inchi】
InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)
【InChIKey】
GSDSWSVVBLHKDQ-UHFFFAOYSA-N
【Canonical SMILES】
Fc4cc1c2N(/C=C(\C1=O)C(=O)O)C(COc2c4N3CCN(C)CC3)C
【MOL File】
82419-36-1.mol

Chemical and Physical Properties

【Appearance】
Off-white solid
【Density】
1.48 g/cm3
【Melting Point】
270-275°C
【Boiling Point】
571.5 °C at 760 mmHg
【Flash Point】
299.4 °C
【Solubilities】
Insoluble
【Stability】
Stable if stored as directed..
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:361.367503 [g/mol]
Molecular Formula:C18H20FN3O4
XLogP3:-0.4
H-Bond Donor:1
H-Bond Acceptor:8
Rotatable Bond Count:2
Exact Mass:361.143784
MonoIsotopic Mass:361.143784
Topological Polar Surface Area:73.3
Heavy Atom Count:26
Formal Charge:0
Complexity:634
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Anion Count:2
Feature 3D Cation Count:3
Feature 3D Ring Count:4
Effective Rotor Count:3.8
Conformer Sampling RMSD:0.8
CID Conformer Count:5

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R22;R42/43;R68;R36/37/38
【Safety Statements 】
S26;S36/37/39;S24/25;S22;S37/39
【Safety】
- Poison by intravenous route.
- Moderately toxic by ingestion.
- An experimental teratogen.
- Other experimental reproductive effects.
- Human systemic effects: body temperature increase, diarrhea, hallucinations, hypermotility, irritability, psychosis.
- Mutation data reported. When heated to decomposition it emits toxic fumes of F- and NOx.
【Specification】

Off-White Solid
usageEng:Fluorinated quinolone antibacterial
Safety Statements:26-36/37/39-24/25-22-37/39
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
24/25:Avoid contact with skin and eyes
22:Do not breathe dust
37/39:Wear suitable protective clothing, gloves and eye/face protection

Use and Manufacturing

【Usage】
Fluorinated quinolone antibacterial

Biomedical Effects and Toxicity

【Pharmacological Action】
- Substances that reduce the growth or reproduction of BACTERIA.
- Substances capable of killing agents causing urinary tract infections or of preventing them from spreading.
- Compounds that inhibit cell production of DNA or RNA.
【Therapeutic Uses】
Fluorinated quinolone antibacterial

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