Anisodine
[CAS# 52646-92-1]

Identification

• Name: Anisodine
• Synonyms: Benzeneacetic Acid, Alpha-Hydroxy-Alpha-(Hydroxymethyl)-, 9-Methyl-3-Oxa-9-Azatricyclo(3.3.1.0(Sup 2,4))Non-7-Yl Ester, Hydrobromide, (7(S)-(1-Alpha,2-Beta,4-Beta,5-Alpha,7-Beta))-; 3-Alpha-(2',3'-Dihydroxy-2'-Phenylpropionyloxy)-6-Beta,7-Beta-Epoxytropane Hydrochloride
• Molecular Formula: C₁₇H₂₂BrNO₅
• Molecular Weight: 400.27
• CAS Registry Number: 52646-92-1
• SMILES: [C@H]12O[C@H]1[C@H]4N([C@@H]2CC(OC(=O)[C@@](O)(CO)C3=CC=CC=C3)C4)C.[H+].[Br-]
• InChI: 1S/C17H21NO5.BrH/c1-18-12-7-11(8-13(18)15-14(12)23-15)22-16(20)17(21,9-19)10-5-3-2-4-6-10;/h2-6,11-15,19,21H,7-9H2,1H3;1H/t11?,12-,13+,14-,15+,17-;/m1./s1
• InChIKey: GJPDCORRBGIJOP-KALLRANASA-N

Properties

• Boiling point: 495°C at 760 mmHg (Cal.)
• Flash point: 253.2°C (Cal.)