3-Chlorimperialine
[CAS# 67903-58-6]

Identification

• Name: 3-Chlorimperialine
• Synonyms: 3-Chlorimperialine; 3-Alpha-Chlorimperialine
• Molecular Formula: C₂₇H₄₃Cl₂NO₃
• Molecular Weight: 500.55
• CAS Registry Number: 67903-58-6
• SMILES: [C@H]14[C@H]([C@H]2[C@H](C1)[C@@]3([C@@H](C(=O)C2)C[C@@](Cl)(O)CC3)C)CC[C@@H]5[C@H]4CN6[C@H]([C@]5(O)C)CC[C@@H](C6)C.[H+].[Cl-]
• InChI: 1S/C27H42ClNO3.ClH/c1-15-4-7-24-26(3,31)20-6-5-16-17(19(20)14-29(24)13-15)10-21-18(16)11-23(30)22-12-27(28,32)9-8-25(21,22)2;/h15-22,24,31-32H,4-14H2,1-3H3;1H/t15-,16+,17+,18-,19-,20+,21-,22+,24-,25+,26-,27-;/m0./s1
• InChIKey: NBPCLEUWAIHYOD-JPJHLQEISA-N

Properties

• Boiling point: 588.4°C at 760 mmHg (Cal.)
• Flash point: 309.6°C (Cal.)