chempirical

Sarpogrelate hydrochloride

C24H32ClNO6CAS 135159-51-2465.97 g/mol

Open in Covalent MOL file
OONOOOHOHCl
Carboxylic acidEsterEtherTertiary amine

Properties

Molecular formula
C24H32ClNO6
Molar mass
465.97 g/mol
Exact mass
465.1918 Da
logP
3.62Crippen estimate
Polar surface area
85.3 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
13

Identifiers

CAS number
135159-51-2
SMILES
COc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(=O)O)c1.Cl
InChIKey
POQBIDFFYCYHOB-UHFFFAOYSA-N
InChI
InChI=1S/C24H31NO6.ClH/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3;/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27);1H

Weigh it out

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

Names and synonyms

5 names
  • Butanedioic acid, 1-[2-(dimethylamino)-1-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]ethyl] ester, hydrochloride (1:1)
  • Butanedioic acid, mono[2-(dimethylamino)-1-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]ethyl] ester, hydrochloride, (±)-
  • Butanedioic acid, mono[2-(dimethylamino)-1-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]ethyl] ester, hydrochloride
  • MCI 9042
  • Anplag

Work with Sarpogrelate 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

Similar compounds

(3-Methoxyphenyl)acetic acid1798-09-040 % similar 3-(2-Methoxyphenyl)propionic acid6342-77-440 % similar 2-[2-(3-Methoxyphenyl)ethyl]phenol167145-13-339 % similar 3-(3,4-Dimethoxyphenyl)propionic acid2107-70-235 % similar 4-Methoxybenzenebutanoic acid4521-28-234 % similar 3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanone197145-37-234 % similar Dihydroferulic acid1135-23-534 % similar 3-Amino-3-(3-methoxyphenyl)propionic acid68208-19-533 % similar

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

Elsewhere

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