dimethyl-[2-phenyl-1-(3,4,5-trimethoxybenzoyl)oxybutan-2-yl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Basic information
- CAS
34140-59-5- Standard SMILES
CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)[NH+](C)C.O=C([O-])/C=C\C(=O)O- InChIKey
FSRLGULMGJGKGI-BTJKTKAUSA-N- Molecular formula
- C26H33NO9
- Average molar mass
- 503.5 g/mol
- Monoisotopic mass
- 503.21553163
Overview
See also: Trimebutine Maleate (preferred); Trimebutine (has active moiety).
Names & identifiers
- Preferred name
- dimethyl-[2-phenyl-1-(3,4,5-trimethoxybenzoyl)oxybutan-2-yl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
- IUPAC
- dimethyl-[2-phenyl-1-(3,4,5-trimethoxybenzoyl)oxybutan-2-yl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
- English name
- Trimebutine maleate
- Molecular formula
- C26H33NO9
- Molecular weight
- 503.54
Names & synonyms
dimethyl-[2-phenyl-1-(3,4,5-trimethoxybenzoyl)oxybutan-2-yl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate maleateTrimebutin maleateTRIMEBUTINE MALEATMaleate trimebutinetm906FoldoxSakionModulonDigerentSpabucolTrimedat
Database identifiers
- CAS
34140-59-5、58997-91-4、58997-92-5- PubChem CID
- 5282423
Properties
Computed structural properties
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 595
Physicochemical properties
- Melting point
- 122 · 122-124°C
- storage temp.
- 2 · 2-8°C
- solubility
- Slightly soluble in water, soluble in acetonitrile, sparingly soluble in acetone, slightly soluble in ethanol (96 per cent).
- form
- Solid
- color
- White
- Major Application
- pharmaceutical (small molecule)
- InChIKey
- FSRLGULMGJGKGI-BTJKTKAUSA-N
- SMILES
- C(CC)(N(C)C)(COC(=O)C1=CC(=C(OC)C(OC)=C1)OC)C1=CC=CC=C1.C(/C(=O)O)=C/C(=O)O
- CAS DataBase Reference
- 34140 · 34140-59-5(CAS DataBase Reference)
- FDA UNII
- 2 A051GM4YM · 2A051GM4YM
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 2
- rtecs
- DI0360000
- risk_code
- 34
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C
- safety_code
- 26-27-36/37/39-45
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesTrimebutine maleate is an antispasmodic that functions as an opioid receptor agonist. Its mechanism of action involves regulating bowel movements and enhancing gastrointestinal function. Trimebutine is commonly used in the treatment of Irritable bowel syndrome. It is also used to restart the movement of the gut after abdominal surgery and to prevent intestinal blockage (paralytic ileus).
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Trimebutine maleate is a trihydroxybenzoic acid that is proposed as a spasmolytic with possible local anesthetic action for the treatment of gastrointestinal disorders.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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