Desocriptine
[CAS# 66759-48-6]

Identification

• Name: Desocriptine
• Synonyms: 6'-Deoxo-9,10Alpha-Dihydro-Beta-Ergocryptine; Desocriptine; Desocriptine [Inn]
• Molecular Formula: C₃₂H₄₅N₅O₄
• Molecular Weight: 563.74
• CAS Registry Number: 66759-48-6
• SMILES: [C@@]56(N(C([C@@](NC([C@@H]4C[C@@H]3C1=CC=CC2=C1C(=C[NH]2)C[C@@H]3N(C4)C)=O)(C(C)C)O5)=O)[C@H](CN7[C@H]6CCC7)[C@H](CC)C)O
• InChI: 1S/C32H45N5O4/c1-6-19(4)26-17-36-12-8-11-27(36)32(40)37(26)30(39)31(41-32,18(2)3)34-29(38)21-13-23-22-9-7-10-24-28(22)20(15-33-24)14-25(23)35(5)16-21/h7,9-10,15,18-19,21,23,25-27,33,40H,6,8,11-14,16-17H2,1-5H3,(H,34,38)/t19-,21+,23+,25-,26+,27-,31+,32-/m0/s1
• InChIKey: OPAVODIYXVLOOM-XAOZLXPPSA-N

Properties

• Density: 1.319g/cm³ (Cal.)
• Boiling point: 793.695°C at 760 mmHg (Cal.)
• Flash point: 433.812°C (Cal.)