(+)-Butaclamol
[CAS# 56245-67-1]

Identification

• Name: (+)-Butaclamol
• Synonyms: 1H-Benzo(6,7)Cyclohepta(1,2,3-De)Pyrido(2,1-A)Isoquinolin-3-Ol, 2,3,4,4A,8,9,13B,14-Octahydro-3-(1,1-Dimethylethyl)-, (3S-(3-Alpha,4A-Alpha,13B-Beta))-; Lopac0_000475; D-Butaclamol
• Molecular Formula: C₂₅H₃₁NO
• Molecular Weight: 361.53
• CAS Registry Number: 56245-67-1
• SMILES: [C@@H]15C3=C(CCC2=C1C=CC=C2)C=CC=C3[C@@H]4C[C@@](C(C)(C)C)(O)CCN4C5
• InChI: 1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1
• InChIKey: ZZJYIKPMDIWRSN-HWBMXIPRSA-N

Properties

• Density: 1.165g/cm³ (Cal.)
• Boiling point: 500.311°C at 760 mmHg (Cal.)
• Flash point: 239.939°C (Cal.)