Pregnenolone-naltrexone azine
[CAS# 108743-74-4]

Identification

• Name: Pregnenolone-naltrexone azine
• Synonyms: Ph-Nx; Pregn-5-En-20-One, 3-Hydroxy-, ((5Alpha,6E)-17-(Cyclopropylmethyl)-4,5-Epoxy-3,14-Dihydroxymorphinan-6-Ylidene)Hydrazone, (3Beta,20E)-; Pregnenolone-Naltrexone Azine
• Molecular Formula: C₄₁H₅₅N₃O₄
• Molecular Weight: 653.90
• CAS Registry Number: 108743-74-4
• SMILES: [C@H]2/6OC1=C(O)C=CC5=C1C23C(O)(C(N(CC3)CC4CC4)C5)CCC6=N/N=C(/[C@@H]%10[C@@]9([C@H]([C@H]7[C@@H]([C@@]8(C(=CC7)C[C@@H](O)CC8)C)CC9)CC%10)C)C
• InChI: 1S/C41H55N3O4/c1-23(29-9-10-30-28-8-7-26-21-27(45)12-15-38(26,2)31(28)13-16-39(29,30)3)42-43-32-14-17-41(47)34-20-25-6-11-33(46)36-35(25)40(41,37(32)48-36)18-19-44(34)22-24-4-5-24/h6-7,11,24,27-31,34,37,45-47H,4-5,8-10,12-22H2,1-3H3/b42-23+,43-32+/t27-,28-,29+,30-,31-,34?,37+,38-,39+,40?,41?/m0/s1
• InChIKey: BRUOIIRRNBKKHH-XSMYIDEESA-N

Properties

• Density: 1.475g/cm³ (Cal.)