Trioxifene
[CAS# 63619-84-1]

Identification

• Name: Trioxifene
• Synonyms: Methanesulfonic Acid; [2-(4-Methoxyphenyl)-3,4-Dihydronaphthalen-1-Yl]-[4-(2-1-Pyrrolidinylethoxy)Phenyl]Methanone; D06245; Trioxifene Mesylate (Usan)
• Molecular Formula: C₃₁H₃₅NO₆S
• Molecular Weight: 549.68
• CAS Registry Number: 63619-84-1 (68307-81-3)
• SMILES: C[S](=O)(=O)O.C1=CC=CC3=C1C(=C(C2=CC=C(OC)C=C2)CC3)C(=O)C5=CC=C(OCCN4CCCC4)C=C5
• InChI: 1S/C30H31NO3.CH4O3S/c1-33-25-13-8-23(9-14-25)28-17-12-22-6-2-3-7-27(22)29(28)30(32)24-10-15-26(16-11-24)34-21-20-31-18-4-5-19-31;1-5(2,3)4/h2-3,6-11,13-16H,4-5,12,17-21H2,1H3;1H3,(H,2,3,4)
• InChIKey: RAHJASYQAFJPFD-UHFFFAOYSA-N

Properties

• Boiling point: 633.5°C at 760 mmHg (Cal.)
• Flash point: 336.9°C (Cal.)