3,7-Diazabicyclo(3.3.1)nonane, 7-methyl-3-(3,4,5-trimethoxybenzoyl)-, fumarate
(Z)-4-hydroxy-4-oxobut-2-enoate;(7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-(3,4,5-trimethoxyphenyl)methanone
Also Known As: 7-Methyl-3-(3,4,5-trimethoxybenzoyl)bispidine fumarate|7-Methyl-3-(3,4,5-trimethoxybenzoyl)-3,7-diazabicyclo(3.3.1)nonane fumarate|3,7-DIAZABICYCLO(3.3.1)NONANE, 7-METHYL-3-(3,4,5-TRIMETHOXYBENZOYL)-, FUMARATE|(Z)-4-hydroxy-4-oxobut-2-enoate; (7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-(3,4,5-trimethoxyphenyl)methanone|3,7-Diazabicyclo[3.3.1]nonane, 3-methyl-7-(3,4,5-trimethoxybenzoyl)-, (E)-2-butenedioate (1:1)
| Molecular Formula | C22H30N2O8 |
|---|---|
| Molecular Weight | 450.20023 g/mol |
| LogP | -1.3039 |
| Topological Polar Surface Area | 129.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.20023 |
| Monoisotopic Mass | 450.20023 |
| Heavy Atoms | 32 |
| Complexity | 810.48193 |
Chemical Identifiers
| CAS Number | 70802-25-4 |
|---|---|
| SMILES | C[NH+]1CC2CC(C1)CN(C2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
3,7-Diazabicyclo(3.3.1)nonane, 7-methyl-3-(3,4,5-trimethoxybenzoyl)-, fumarate (CAS 70802-25-4), with molecular formula C22H30N2O8 and molecular weight 450.20023 g/mol. IUPAC: (Z)-4-hydroxy-4-oxobut-2-enoate;(7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
3,7-Diazabicyclo(3.3.1)nonane, 7-methyl-3-(3,4,5-trimethoxybenzoyl)-, fumarate is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »