chempirical

(±)-Trimebutine

C22H29NO5CAS 39133-31-8387.48 g/mol

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EsterTertiary Amine

Properties

Molecular formula
C22H29NO5
Molar mass
387.48 g/mol
Exact mass
387.2046 Da
Melting point
79 °C
logP
3.74Crippen estimate
Polar surface area
57.2 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
9

Identifiers

CAS number
39133-31-8
SMILES
CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C
InChIKey
LORDFXWUHHSAQU-UHFFFAOYSA-N
InChI
InChI=1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3

Weigh it out

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

Names and synonyms

6 names
  • Benzoic acid, 3,4,5-trimethoxy-, 2-(dimethylamino)-2-phenylbutyl ester
  • Trimebutine
  • Triton
  • Triton (pharmaceutical)
  • [2-(Dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate
  • 2-(Dimethylamino)-2-phenylbutyl (-)-3,4,5-trimethoxybenzoate

Work with (±)-Trimebutine

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

Elsewhere

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