Molecular Identity
Mebeverine
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate
PubChem CID: 4031
3,4-dimethoxybenzoic acid 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl ester is a methoxybenzoic acid.
2D Structure
Properties
C25H35NO5
Molecular Formula
429.50
Molecular Weight
g/mol
429.2515
Exact Mass
Da
5.2
XLogP
Above Lipinski threshold
57.2
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
6
H-Bond Acceptors
494
Complexity
SMILES
Canonical SMILES
SMILES: CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OCIsomeric SMILES
SMILES: CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OCSynonyms(20)
mebeverine3625-06-7MebeverinaMebeverinumArluyDuspatalin4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoateBenzoic acid, 3,4-dimethoxy-, 4-(ethyl(2-(4-methoxyphenyl)-1-methylethyl)amino)butyl ester7F80CC3NNVVeratric acid, 4-((ethyl(p-methoxy-alpha-methylphenethyl))amino)butyl esterDTXSID60232384-(ethyl-(4-methoxy-alpha-methylphenethyl)aminobutyl) veratrateBenzoic acid, 3,4-dimethoxy-, 4-[ethyl[2-(4-methoxyphenyl)-1-methylethyl]amino]butyl esterspasmotalin4-(ethyl-(1-(4-methoxyphenyl)propan-2-yl)amino)butyl 3,4-dimethoxybenzoate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Mebeverine
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