Naltrexone-estrone azine
[CAS# 140188-23-4]

Identification

• Name: Naltrexone-estrone azine
• Synonyms: Morphinan-6-One, 17-(Cyclopropylmethyl)-4,5-Epoxy-3,14-Dihydroxy-, ((3Beta)-3-Hydroxyestra-1,3,5(10)-Trien-17-Ylidene)Hydrazide, (5Alpha)-; Naltrexone-Estrone Azine
• Molecular Formula: C₃₈H₄₅N₃O₄
• Molecular Weight: 607.79
• CAS Registry Number: 140188-23-4
• SMILES: C3=CC(=C4OC6C15C(O)(C(N(CC1)CC2CC2)CC3=C45)CC/C6=N/N=C\%10C9(C(C8C(C7=CC=C(O)C=C7CC8)CC9)CC%10)C)O
• InChI: 1S/C38H45N3O4/c1-36-14-12-26-25-8-6-24(42)18-22(25)4-7-27(26)28(36)9-11-31(36)40-39-29-13-15-38(44)32-19-23-5-10-30(43)34-33(23)37(38,35(29)45-34)16-17-41(32)20-21-2-3-21/h5-6,8,10,18,21,26-28,32,35,42-44H,2-4,7,9,11-17,19-20H2,1H3/b39-29-,40-31+
• InChIKey: KWRMQORSCWANRR-XMSFGIAZSA-N

Properties

• Density: 1.552g/cm³ (Cal.)