Prulifloxacin

C₂₁H₂₀FN₃O₆SCAS 123447-62-1461.46 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Sulfide Tertiary amine

Properties

Molecular formula: C₂₁H₂₀FN₃O₆S
Molar mass: 461.46 g/mol
Exact mass: 461.1057 Da
logP: 2.64Crippen estimate
Polar surface area: 109.1 Å²
H-bond donors / acceptors: 1 / 8
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation50% of notifiers
H362 May cause harm to breast-fed children100% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P263, P264, P270, P280, P302+P352, P318, P319, P321, P332+P317, P362+P364, P501

Identifiers

CAS number

123447-62-1

SMILES

Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1

InChIKey

PWNMXPDKBYZCOO-UHFFFAOYSA-N

InChI

InChI=1S/C21H20FN3O6S/c1-10-16(31-21(29)30-10)9-23-3-5-24(6-4-23)15-8-14-12(7-13(15)22)18(26)17(20(27)28)19-25(14)11(2)32-19/h7-8,11H,3-6,9H2,1-2H3,(H,27,28)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

1H,4H-[1,3]Thiazeto[3,2-a]quinoline-3-carboxylic acid, 6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1-piperazinyl]-4-oxo-
1,3-Dioxole, 1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid deriv.
6-Fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1-piperazinyl]-4-oxo-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
NM 441
(±)-7-[4-[(Z)-2,3-Dihydroxy-2-butenyl]-1-piperazinyl]-6-fluoro-1-methyl-4-oxo-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid, cyclic carbonate
Quisnon
Sword

Work with Prulifloxacin

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.

1H,4H-[1,3]Thiazeto[3,2-a]quinoline-3-carboxylic acid, 6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1-piperazinyl]-4-oxo-, hydrochloride (1:1)123447-63-2Salt

Similar compounds

Ulifloxacin112984-60-867 % similar Ethyl 6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate113028-17-450 % similar Ethyl 6,7-difluoro-1-methyl-4-oxo-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate113046-72-343 % similar Enrofloxacin93106-60-643 % similar Enrofloxacin hydrochloride112732-17-941 % similar Pefloxacin70458-92-339 % similar Norfloxacin70458-96-738 % similar Ciprofloxacin85721-33-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine (2E)-2-butenedioate (1:1)1260141-27-2 5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine (2E)-2-butenedioate (1:1)881681-01-2

Elsewhere

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