(alphaS,5alpha,7alpha)-17-[(Cyclopropyl-2,2-D2)Methyl-D2]-alpha-(1,1-Dimethylethyl)-4,5-Epoxy-18,19-Dihydro-3-Hydroxy-6-Methoxy-alpha-Methyl-6,14-Ethenomorphinan-7-Methanol
[CAS# 136781-89-0]

Identification

• Name: (alphaS,5alpha,7alpha)-17-[(Cyclopropyl-2,2-D2)Methyl-D2]-alpha-(1,1-Dimethylethyl)-4,5-Epoxy-18,19-Dihydro-3-Hydroxy-6-Methoxy-alpha-Methyl-6,14-Ethenomorphinan-7-Methanol
• Synonyms: 6,14-Ethenomorphinan-7-Methanol, 17-(Cyclopropyl-2,2-D2)Methyl-D2-.Alpha.-(1,1-Dimethylethyl)-4,5-Epoxy-18,19-Dihydro-3-Hydroxy-6-Methoxy-.Alpha.-Methyl-, (.Alpha.S,5.Alpha.,7.Alpha.)-; BUPRENORPHINE-D4
• Molecular Formula: C₂₉H₃₇D₄NO₄
• Molecular Weight: 471.67
• CAS Registry Number: 136781-89-0
• SMILES: CO[C@@]12CC[C@]3(C[C@@H]1C(C(C)(C)C)(O)C)[C@@]14[C@H]2Oc2c4c(C[C@H]3N(CC1)C(C1CC1([2H])[2H])([2H])[2H])ccc2O
• InChI: 1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26?,27-,28+