chempirical

Trimebutine maleate

C26H33NO9CAS 34140-59-5503.55 g/mol

Open in Covalent MOL file
OOOOONOHOOOH
AlkeneCarboxylic acidEsterEtherTertiary amine

Properties

Molecular formula
C26H33NO9
Molar mass
503.55 g/mol
Exact mass
503.2155 Da
Melting point
105–106 °C
logP
3.45Crippen estimate
Polar surface area
131.8 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
11

Identifiers

CAS number
34140-59-5
SMILES
CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C.O=C(O)/C=CC(=O)O
InChIKey
FSRLGULMGJGKGI-BTJKTKAUSA-N
InChI
InChI=1S/C22H29NO5.C4H4O4/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;5-3(6)1-2-4(7)8/h8-14H,7,15H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

Weigh it out

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

Names and synonyms

13 names · show all
  • Benzoic acid, 3,4,5-trimethoxy-, 2-(dimethylamino)-2-phenylbutyl ester, (2Z)-2-butenedioate (1:1)
  • Benzoic acid, 3,4,5-trimethoxy-, β-(dimethylamino)-β-ethylphenethyl ester maleate (1:1)
  • Benzoic acid, 3,4,5-trimethoxy-, 2-(dimethylamino)-2-phenylbutyl ester, (Z)-2-butenedioate (1:1)
  • Debridat
  • Dromostat
  • TM 906
  • Spabucol
  • Cerekinon
  • Polibutin
  • Digerent
  • Foldox
  • Trimedat
  • Gast-reg

Work with Trimebutine maleate

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

(±)-Trimebutine39133-31-885 % similar Ethyl 3,4,5-trimethoxybenzoate6178-44-544 % similar (E)-3,4,5-Trimethoxycinnamic acid20329-98-041 % similar 3,4,5-Trimethoxycinnamic acid90-50-641 % similar (2E)-4-(3,4-Dimethoxyphenyl)-4-oxo-2-butenoic acid80937-23-139 % similar Trimethylolpropane tribenzoate54547-34-138 % similar 8-(N,N-Diethylamino)octyl 3,4,5-trimethoxybenzoate hydrochloride53464-72-538 % similar Methyl 3,4,5-trimethoxybenzoate1916-07-037 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook