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Substance Name: Trimebutine [INN:BAN:DCF]
RN: 39133-31-8
UNII: QZ1OJ92E5R
InChIKey: LORDFXWUHHSAQU-UHFFFAOYSA-N

Note

  • Proposed spasmolytic with possible local anesthetic action used in gastrointestinal disorders.

Molecular Formula

  • C22-H29-N-O5

Molecular Weight

  • 387.473
 

Classification Codes

  • Autonomic Agents
  • Gastrointestinal Agents
  • Parasympatholytics
  • Peripheral Nervous System Agents
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Names and Synonyms

Name of Substance

  • Trimebutine
  • Trimebutine [INN:BAN:DCF]

MeSH Heading

  • Trimebutine

Synonyms

  • 2-Dimethylamino-2-phenylbutyl 3,4,5-trimethoxybenzoat
  • EINECS 254-309-2
  • Trimebutine
  • Trimebutino
  • Trimebutino [INN-Spanish]
  • Trimebutinum
  • Trimebutinum [INN-Latin]
  • UNII-QZ1OJ92E5R

Systematic Names

  • Benzoic acid, 3,4,5-trimethoxy-, 2-(dimethylamino)-2-phenylbutyl ester
  • beta-(Dimethylamino)-beta-ethylphenethyl alcohol 3,4,5-trimethoxybenzoate (ester)
  • Trimebutine

Registry Numbers

CAS Registry Number

  • 39133-31-8

FDA UNII

  • QZ1OJ92E5R

System Generated Number

  • 0039133318

Structure Descriptors

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

InChIKey

LORDFXWUHHSAQU-UHFFFAOYSA-N

Smiles

c1([C@@](COC(c2cc(c(OC)c(c2)OC)OC)=O)(N(C)C)CC)ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 79 deg C   EXP
log P (octanol-water) 3.620 (none)   EST
Atmospheric OH Rate Constant 1.25E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.