N-Desmethyltrimebutine
[2-(methylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate
Also Known As: N-Desmethyl-tmb|N-Desmethyltrimebutine|NDTMB|N-Demethyltrimebutine|Trimebutine EP Impurity E|NOR-TRIMEBUTINE|N-Monodesmethyltrimebutine|N-Monodemethyltrimebutine|N-Desmethyl Trimebutine HCl|N-DEMETHYL TRIMEBUTINE|2-(Methylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate|DESMETHYL TRIMEBUTINE HCL|N-Demethyl Trimebutine Hydrochloride|Benzoic acid, 3,4,5-trimethoxy-, 2-(methylamino)-2-phenylbutyl ester|[2-(methylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate|JO-1069|N-Desmethyl Trimebutine-beta-D-Glucuronide|2-(Methylamino)-2-phenylbutyl-3,4,5-trimethoxybenzoate|J1.071.001D|2-(Methylamino)-2-phenylbutyl3,4,5-trimethoxybenzoate|TRIMEBUTINE MALEATE IMPURITY E [EP IMPURITY]|N0001-010257|3,4,5-Trimethoxybenzoic acid 2-(methylamino)-2-phenylbutyl ester|(2RS)-2-(METHYLAMINO)-2-PHENYLBUTYL 3,4,5-TRIMETHOXYBENZOATE|Benzoic acid,3,4,5-trimethoxy-, 2-(methylamino)-2-phenylbutyl ester
| Molecular Formula | C21H27NO5 |
|---|---|
| Molecular Weight | 373.18893 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 373.18893 |
| Monoisotopic Mass | 373.18893 |
| Heavy Atoms | 27 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 90097-52-2 |
|---|---|
| SMILES | CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)NC |
| InChIKey | ZFPDLGDYDUPYEZ-UHFFFAOYSA-N |
Product Overview
N-Desmethyltrimebutine (CAS 90097-52-2), with molecular formula C21H27NO5 and molecular weight 373.18893 g/mol. IUPAC: [2-(methylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate.