chempirical

1-[3-(2,4,6-Trimethoxybenzoyl)propyl]PyrrolidiniumChloride

C17H26ClNO4CAS 35543-24-9343.85 g/mol

Open in Covalent MOL file
OOONOHCl
EtherKetoneTertiary amine

Properties

Molecular formula
C17H26ClNO4
Molar mass
343.85 g/mol
Exact mass
343.1550 Da
Melting point
192–193 °C
logP
3.19Crippen estimate
Polar surface area
48.0 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
8

Identifiers

CAS number
35543-24-9
SMILES
COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1.Cl
InChIKey
ZDPACSAHMZADFZ-UHFFFAOYSA-N
InChI
InChI=1S/C17H25NO4.ClH/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18;/h11-12H,4-10H2,1-3H3;1H

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Names and synonyms

14 names · show all
  • Buflomedil hydrochloride
  • 1-Butanone, 4-(1-pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)-, hydrochloride
  • LL 1656
  • Irrodan R
  • Fonzylane
  • 1-Butanone, 4-(1-pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)-, hydrochloride (1:1)
  • Buflocit
  • Lofton
  • Buflan
  • Provas
  • Loftyl
  • Bufedil
  • Irrodan
  • Buflonat

Work with 1-[3-(2,4,6-Trimethoxybenzoyl)propyl]PyrrolidiniumChloride

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

Buflomedil55837-25-792 % similar 2,4,6-Trimethoxybenzoic acid570-02-543 % similar Fluanisone1480-19-943 % similar 3,4-Dihydro-6,7-dimethoxy-1(2H)-naphthalenone13575-75-243 % similar 8-Methoxy-3,4-dihydronaphthalen-1(2H)-one13185-18-741 % similar 1-[2-(3,4-Dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine hydrochloride (1:2)165377-44-640 % similar (-)-Pinostrobin480-37-540 % similar 8-(N,N-Diethylamino)octyl 3,4,5-trimethoxybenzoate hydrochloride53464-72-540 % similar

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

Elsewhere

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