Trioxifene mesylate
methanesulfonic acid;[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
Also Known As: Trioxifene mesylate|Trioxifene mesilate|Methanesulfonate|Trioxifene (mesylate)|Trioxifene mesylate [USAN]|TRIOXIFENE|COMPOUND 133314|Lilly compound LY133314|COMPOUND-133314|RefChem:925570|trioxifene methanesulfonate|Lilly-88571|AC1L18IE|Trioxifene mesylate (USAN)|63ZD22G88L|orb1701504|Cpd-133314|LY 133314|D06245|T26295|3,4-Dihydro-2-(p-methoxyphenyl)-1-naphthyl p-(2-(1-pyrrolidinyl)ethoxy)phenyl ketone methanesulfonate|Q27263665|methanesulfonic acid;[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone|Methanone, (3,4-dihydro-2-(4-methoxyphenyl)-1-naphthalenyl)(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-, methanesulfonate|Ketone, 3,4-dihydro-2-(p-methoxyphenyl)-1-naphthyl-p-(2-(1-pyrrolidinyl)ethoxy)phenyl, methanesulfonate|3,4-dihydro-2-(p-methoxyphenyl)-1-naphthyl p-(2-(1-pyrrolidinyl)ethoxy)phenylketone|Ketone, 3,4-dihydro-2-(p-methoxyphenyl)-1-naphthyl-p-(2-(1-pyrrolidinyl)ethoxy)phenyl,methanesulfonate|Methanesulfonic acid--[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}methanone (1/1)|methanesulfonic acid; [2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone|Methanone, (3,4-dihydro-2-(4-methoxyphenyl)-1-naphthalenyl)(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-, methanesulfonate (1:1)|Methanone, [3,4-dihydro-2-(4-methoxyphenyl)-1-naphthalenyl][4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-, methanesulfonate|Methanone,[3,4-dihydro-2-(4-methoxyphenyl)-1-naphthalenyl][4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-, methanesulfonate
| Molecular Formula | C31H35NO6S |
|---|---|
| Molecular Weight | 549.2185 g/mol |
| LogP | 5.41 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 549.2185 |
| Heavy Atoms | 39 |
| Complexity | 1398.2 |
Chemical Identifiers
| CAS Number | 68307-81-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3CC2)C(=O)C4=CC=C(C=C4)OCCN5CCCC5.CS(=O)(=O)O |
Product Overview
Trioxifene mesylate (CAS 68307-81-3), with molecular formula C31H35NO6S and molecular weight 549.2185 g/mol. IUPAC: methanesulfonic acid;[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone.
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