chempirical

Flavoxate

C24H25NO4CAS 15301-69-6391.47 g/mol

Open in Covalent MOL file
OOONO
EsterTertiary amine

Properties

Molecular formula
C24H25NO4
Molar mass
391.47 g/mol
Exact mass
391.1784 Da
Melting point
87–88 °C
logP
4.41Crippen estimate
Polar surface area
59.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
5

Identifiers

CAS number
15301-69-6
SMILES
Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O
InChIKey
SPIUTQOUKAMGCX-UHFFFAOYSA-N
InChI
InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-(1-piperidinyl)ethyl ester
  • 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-piperidinoethyl ester
  • Piperidinoethyl 3-methyl-2-phenyl-4-oxo-4H-1-benzopyran-8-carboxylate
  • β-Piperidinoethyl-3-methylflavone-8-carboxylate
  • 2-Piperidinoethyl 3-methylflavone-8-carboxylate

Work with Flavoxate

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

Flavoxate hydrochloride3717-88-295 % similar 3-Methylflavone-8-carboxylic acid3468-01-757 % similar Di-N-octyl phthalate117-84-034 % similar Diheptyl phthalate3648-21-334 % similar Dihexyl phthalate84-75-334 % similar Dinonyl 1,2-benzenedicarboxylate84-76-434 % similar Didecyl phthalate84-77-534 % similar Benzyl butyl phthalate85-68-734 % similar

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

Same formula

Fmoc-oic-oh130309-37-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook