Ofloxacin

C₁₈H₂₀FN₃O₄CAS 82419-36-1361.37 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether Tertiary amine

Properties

Molecular formula: C₁₈H₂₀FN₃O₄
Molar mass: 361.37 g/mol
Exact mass: 361.1438 Da
Melting point: 254 °C (decomposes)
pKa: 5.97 (carboxylic acid), 8.31, 9.28 (piperizinyl ring)
logP: 1.54Crippen estimate
Polar surface area: 75.0 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed85.2% of notifiers
H312 Harmful in contact with skin85.2% of notifiers
H317 May cause an allergic skin reaction85.2% of notifiers
H332 Harmful if inhaled85.2% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled85.2% of notifiers
H341 Suspected of causing genetic defects100% of notifiers
H361 Suspected of damaging fertility or the unborn child14.8% of notifiers

Aggregated from 61 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P333+P317, P342+P316, P362+P364, P403, P405, P501

Identifiers

CAS number

82419-36-1

SMILES

CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23

InChIKey

GSDSWSVVBLHKDQ-UHFFFAOYSA-N

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)

Weigh it out

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Names and synonyms

48 names · show all

Sanke
Gailuoxian
Oflicin
OFLO
Oquin
Zenflox
Traflox
Otoxin
9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-piperazinyl)-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid
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-
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-, (±)-
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
DL 8280
Ofloxacine
HOE 280
(±)-Ofloxacin
ORF 18489
PT 01
Tarivid
Floxin
Visiren
9-Fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid
9-Fluoro-2,3-dihydro-3-methyl-10-(N-methylpiperazinyl)-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid
Ocuflox
Oflox
Floxal
Floxil
Flobacin
Visren
Exocin
Oxaldin
Oflocet
Oflocin
Tariferid
Ofloxin
Zanocin
Oflin
WP 0405
Ofxin
Ofloren
Oflovir
Surnor
Kirol
Prifloxcin
Olfo 200
Prifloxin
Tarivan
Meneflox

Work with Ofloxacin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Levofloxacin hydrate138199-71-0Hydrate, defined stereoisomer Levofloxacin100986-85-4Defined stereoisomer Levofloxacin hydrochloride177325-13-2Salt, defined stereoisomer Ofloxacin hydrochloride118120-51-7Salt Levofloxacin mesylate226578-51-4Salt, defined stereoisomer

Similar compounds

N-Desmethyl levofloxacin117707-40-182 % similar Marbofloxacin115550-35-172 % similar Levofloxacin Q-acid100986-89-870 % similar 8,9-Difluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid82419-35-070 % similar Defluoro levofloxacin117620-85-670 % similar Pazufloxacin127045-41-463 % similar Nadifloxacin124858-35-158 % similar Fleroxacin79660-72-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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