Mebeverine hydrochloride

C25H36ClNO5CAS 2753-45-9466.02 g/mol

NOOOOOHCl
EsterEtherTertiary amine

Properties

Molecular formula
C25H36ClNO5
Molar mass
466.02 g/mol
Exact mass
465.2282 Da
Melting point
125–127 °C
logP
5.02Crippen estimate
Polar surface area
57.2 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
13

Identifiers

CAS number
2753-45-9
SMILES
CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1.Cl
InChIKey
PLGQWYOULXPJRE-UHFFFAOYSA-N
InChI
InChI=1S/C25H35NO5.ClH/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5;/h9-14,18-19H,6-8,15-17H2,1-5H3;1H

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Names and synonyms

18 names · show all
  • Benzoic acid, 3,4-dimethoxy-, 4-[ethyl[2-(4-methoxyphenyl)-1-methylethyl]amino]butyl ester, hydrochloride (1:1)
  • Veratric acid, 4-[ethyl(p-methoxy-α-methylphenethyl)amino]-, butyl ester, hydrochloride
  • Benzoic acid, 3,4-dimethoxy-, 4-[ethyl[2-(4-methoxyphenyl)-1-methylethyl]amino]butyl ester, hydrochloride
  • 1-Butanol, 4-[ethyl(p-methoxy-α-methylphenethyl)amino]-, veratrate, hydrochloride
  • CSAG 144
  • 4-[Ethyl(p-methoxy-α-methylphenethyl)amino]butyl veratrate hydrochloride
  • 4′-[N-Ethyl-1′′-methyl-2′′-(4′′′-methoxyphenyl)ethylamino]butyl 3,4-dimethoxybenzoate hydrochloride
  • Duspatalin
  • Colofac
  • Duspatal
  • NSC 169101
  • Colospasmin
  • Mebaspa
  • Colaspa
  • Spasmotaline
  • Duspataline
  • Coloverine
  • Colospasmine fort

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Similar compounds

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

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