Flavoxate hydrochloride

C24H26ClNO4CAS 3717-88-2427.93 g/mol

Open in Covalent MOL file
OOONOHCl
EsterTertiary amine

Properties

Molecular formula
C24H26ClNO4
Molar mass
427.93 g/mol
Exact mass
427.1550 Da
Melting point
232–234 °C
logP
4.83Crippen estimate
Polar surface area
59.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 96 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3717-88-2
SMILES
Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O.Cl
InChIKey
XOEVKNFZUQEERE-UHFFFAOYSA-N
InChI
InChI=1S/C24H25NO4.ClH/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;1H

Weigh it out

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

Names and synonyms

16 names · show all
  • 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-(1-piperidinyl)ethyl ester, hydrochloride (1:1)
  • 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-piperidinoethyl ester, hydrochloride
  • 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-(1-piperidinyl)ethyl ester, hydrochloride
  • 1-Piperidineethanol, 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate (ester), hydrochloride
  • Piperidinoethyl-3-methylflavone-8-carboxylate hydrochloride
  • DW 61
  • Peflate
  • Rec 7/0040
  • Spasmal
  • Urispas
  • Bladderon
  • Genurin
  • Patricin
  • Spasuret
  • NSC 114649
  • 2-(Piperidin-1-yl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate hydrochloride

Work with Flavoxate hydrochloride

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.

Flavoxate15301-69-6Free base

Similar compounds

3-Methylflavone-8-carboxylic acid3468-01-754 % similar Chloroprocaine hydrochloride3858-89-733 % similar Di-n-octyl phthalate117-84-033 % similar Diheptyl phthalate3648-21-333 % similar Dihexyl phthalate84-75-333 % similar Dinonyl 1,2-benzenedicarboxylate84-76-433 % similar Didecyl phthalate84-77-533 % similar Benzyl butyl phthalate85-68-732 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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