(4R,4aR,7R,7aR,12bS,14S)-14-Acetyl-9-(benzyloxy)-7-methoxy-1,2,7,7a-tetrahydro-7,4a-ethano-4,12-methanobenzofuro[3,2-e]isoquinoline-3(4H)-carbonitrile(Buprenorphine Impurity)

Ref. TR-B689665

Product Information

• Name: (4R,4aR,7R,7aR,12bS,14S)-14-Acetyl-9-(benzyloxy)-7-methoxy-1,2,7,7a-tetrahydro-7,4a-ethano-4,12-methanobenzofuro[3,2-e]isoquinoline-3(4H)-carbonitrile(Buprenorphine Impurity)
• Synonyms: (4R,4aR,7R,7aR,12bS,14S)-14-acetyl-9-(benzyloxy)-7-methoxy-1,2,7,7a-tetrahydro-7,4a-ethano-4,12-methanobenzofuro[3,2-e]isoquinoline-3(4H)-carbonitrile
• Brand: TRC
• Description: Applications (4R,4aR,7R,7aR,12bS,14S)-14-Acetyl-9-(benzyloxy)-7-methoxy-1,2,7,7a-tetrahydro-7,4a-ethano-4,12-methanobenzofuro[3,2-e]isoquinoline-3(4H)-carbonitrile, is a metabolite of Buprenorphine (B689570), an Analgesic that demonstrates narcotic agonist-antagonist properties.References Martin, W.R., et al.: J. Pharmacol. Exp. Ther., 197, 517 (1976), Rance, M.J., Biochem. Pharmacol., 25, 735 (1976), Heel, R.C., et al.: Drugs, 17, 81 (1979),

Chemical properties

• Molecular weight: 468.54
• Formula: C₂₉H₂₈N₂O₄
• Color/Form: Neat
• InChI: InChI=1S/C29H28N2O4/c1-18(32)21-15-27-10-11-29(21,33-2)26-28(27)12-13-31(17-30)23(27)14-20-8-9-22(25(35-26)24(20)28)34-16-19-6-4-3-5-7-19/h3-11,21,23,26H,12-16H2,1-2H3/t21-,23-,26-,27-,28+,29-/m1/s1
• InChI key: InChIKey=QGZKDVFQNNGYKY-UHFFFAOYSA-N
• SMILES: CO[C@]12C=C[C@@]3(C[C@@H]1C(C)=O)[C@H]1Cc4ccc(OCc5ccccc5)c5c4[C@@]3(CCN1C#N)[C@H]2O5