Defluoro levofloxacin

C₁₈H₂₁N₃O₄CAS 117620-85-6343.38 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Tertiary amine

Properties

Molecular formula: C₁₈H₂₁N₃O₄
Molar mass: 343.38 g/mol
Exact mass: 343.1532 Da
logP: 1.40Crippen estimate
Polar surface area: 75.0 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

117620-85-6

SMILES

C[C@H]1COC2=C(C=CC3=C2N1C=C(C3=O)C(=O)O)N4CCN(CC4)C

InChIKey

ANLIAKDHRADSBT-NSHDSACASA-N

InChI

InChI=1S/C18H21N3O4/c1-11-10-25-17-14(20-7-5-19(2)6-8-20)4-3-12-15(17)21(11)9-13(16(12)22)18(23)24/h3-4,9,11H,5-8,10H2,1-2H3,(H,23,24)/t11-/m0/s1

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Names and synonyms

1 names

9-Desfluoro levofloxacin

Work with Defluoro levofloxacin

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

Similar compounds

Levofloxacin100986-85-470 % similar Ofloxacin82419-36-170 % similar Ofloxacin hydrochloride118120-51-767 % similar Levofloxacin hydrate138199-71-067 % similar Levofloxacin hydrochloride177325-13-267 % similar Levofloxacin mesylate226578-51-462 % similar Levofloxacin Q-acid100986-89-857 % similar 8,9-Difluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid82419-35-057 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethacridine lactate1837-57-6

Elsewhere

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