17-Cyclopropylmethyl-6,7-Dehydro-4,5-Epoxy-3,14-Dihydroxy-6,7,2',3'-Indolomorphinan
[CAS# 111555-53-4]

Identification

• Name: 17-Cyclopropylmethyl-6,7-Dehydro-4,5-Epoxy-3,14-Dihydroxy-6,7,2',3'-Indolomorphinan
• Synonyms: 4,8-Methanobenzofuro(2,3-A)Pyrido(4,3-B)Carbazole-1,8A(9H)-Diol, 7-(Cyclopropylmethyl)-5,6,7,8,14,14B-Hexahydro-, (4Bs,8R,8As,14Br)-; 4,8-Methanobenzofuro(2,3-A)Pyrido(4,3-B)Carbazole-1,8A(9H)-Diol, 7-(Cyclopropylmethyl)-5,6,7,8,14,14B-Hexahydro-, (8R-(4Bs*,8Alpha,8Abeta,14Bbeta))-
• Molecular Formula: C₂₆H₂₆N₂O₃
• Molecular Weight: 414.50
• CAS Registry Number: 111555-53-4
• SMILES: [C@H]67C1(C4(C(C2=C(C1)C3=C([NH]2)C=CC=C3)OC5=C(C=CC(=C45)C6)O)CCN7CC8CC8)O
• InChI: 1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m1/s1
• InChIKey: WIYUZYBFCWCCQJ-VCGPMTOLSA-N

Properties

• Density: 1.52g/cm³ (Cal.)
• Boiling point: 647.238°C at 760 mmHg (Cal.)
• Flash point: 345.237°C (Cal.)