Morphatropin
[CAS# 138230-28-1]

Identification

• Name: Morphatropin
• Synonyms: Morphinan-3,6-Diol, 7,8-Didehydro-4,5-Epoxy-17-Methyl-(5Alpha,6Alpha)-, Hydrochloride, Mixt. With Endo-(+-)-8-Methyl-8-Azabicyclo(3.2.1)Oct-3-Yl Alpha-(Hydroxymethyl)Benzeneacetate Sulfate (2:1) (Salt)
• Molecular Formula: C₅₁H₆₈ClN₃O₁₃S
• Molecular Weight: 998.62
• CAS Registry Number: 138230-28-1
• SMILES: N1(C2CC(CC1CC2)C3=CC(=CC=C3)C(C)C(OO)=O)C.[C@]457[C@@H]8[C@H](N(CC4)C)CC6=C5C(=C(O)C=C6)O[C@H]7[C@@H](O)C=C8.C9(CC%10N(C(C9)CC%10)C)C%11=CC(=CC=C%11)C(C)C(OO)=O.[H+].O=[S](O)(O)=O.[Cl-]
• InChI: 1S/C17H19NO3.2C17H23NO3.ClH.H2O4S/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;2*1-11(17(19)21-20)12-4-3-5-13(8-12)14-9-15-6-7-16(10-14)18(15)2;;1-5(2,3)4/h2-5,10-11,13,16,19-20H,6-8H2,1H3;2*3-5,8,11,14-16,20H,6-7,9-10H2,1-2H3;1H;(H2,1,2,3,4)/t10-,11+,13-,16-,17-;;;;/m0..../s1
• InChIKey: AHLMLXUOHMWIFY-BJWPBXOKSA-N