(5α,7α)-4,5-Epoxy-18,19-dihydro-7-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-3,6-dimethoxy-6,14-ethenomorphinan-17-carbonitrile

CAS Registry Number®

16614-60-1

CAS Name

(5α,7α)-4,5-Epoxy-18,19-dihydro-7-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-3,6-dimethoxy-6,14-ethenomorphinan-17-carbonitrile

Molecular Formula

C27H36N2O4

Molecular Mass

452.59

Cite this Page

(5α,7α)-4,5-Epoxy-18,19-dihydro-7-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-3,6-dimethoxy-6,14-ethenomorphinan-17-carbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16614-60-1 (retrieved 2024-11-22) (CAS RN: 16614-60-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H36N2O4/c1-23(2,3)24(4,30)18-14-25-9-10-27(18,32-6)22-26(25)11-12-29(15-28)19(25)13-16-7-8-17(31-5)21(33-22)20(16)26/h7-8,18-19,22,30H,9-14H2,1-6H3/t18-,19-,22-,24+,25-,26+,27-/m1/s1

InChIKey

InChIKey=BNIUSDKOHBJDSD-VFERFCJDSA-N

SMILES

O(C)[C@@]12[C@]3([C@@]45[C@@]([C@@](CC6=C4C(O3)=C(OC)C=C6)(N(C#N)CC5)[H])(C[C@@]1([C@]([C@](C)(C)C)(C)O)[H])CC2)[H]

Canonical SMILES

N#CN1CCC23C4=C5OC3C6(OC)CCC2(CC6C(O)(C)C(C)(C)C)C1CC4=CC=C5OC

Other Names for this Substance

  • 6,14-Ethenomorphinan-17-carbonitrile, 4,5-epoxy-18,19-dihydro-7-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-3,6-dimethoxy-, (5α,7α)-
  • 6,14-endo-Ethanotetrahydrothebaine, 17-cyano-17-demethyl-7α-(1-hydroxy-1,2,2-trimethylpropyl)-
  • 6,14-Ethenomorphinan-17-carbonitrile, 4,5-epoxy-18,19-dihydro-7-(1-hydroxy-1,2,2-trimethylpropyl)-3,6-dimethoxy-, [5α,7α(S)]-
  • (5α,7α)-4,5-Epoxy-18,19-dihydro-7-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-3,6-dimethoxy-6,14-ethenomorphinan-17-carbonitrile
  • N-Cyanonorbuprenorphine 3-methyl ether

CAS INSIGHTSTM
Targeted protein degrader structure, illustration