CAS 16614-60-1

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

Description:

The chemical substance known as "(5α,7α)-4,5-Epoxy-18,19-dihydro-7-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-3,6-dimethoxy-6,14-ethenomorphinan-17-carbonitrile," with the CAS number 16614-60-1, is a complex organic compound belonging to the morphinan class of alkaloids. It features a unique structural framework characterized by an epoxy group, multiple methoxy substituents, and a carbonitrile functional group. This compound exhibits stereochemistry, indicated by the presence of specific stereocenters, which can influence its biological activity and interaction with receptors. Morphinans are often studied for their potential pharmacological effects, including analgesic properties, and this particular compound may have implications in medicinal chemistry. Its intricate structure suggests potential for various chemical reactions and modifications, making it a subject of interest in drug development and synthesis. As with many morphinan derivatives, understanding its properties, including solubility, stability, and reactivity, is crucial for exploring its applications in therapeutic contexts.

Formula: C₂₇H₃₆N₂O₄

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

InChI key: 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]

Synonyms:

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

4,5-Epoxy-7-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-3,6-dimethoxy-6,14-ethano-14-morphinan-17-carbonitrile

Controlled Product

CAS: 16614-60-1

Color and Shape: Neat

Ref: 86-MM0120.11

N-Cyano-3-O-methyl Norbuprenorphine (1 mg/ml in Acetonitrile)

Controlled Product

CAS: 16614-60-1

Formula: C₂₇H₃₆N₂O₄

Color and Shape: Single Solution

Molecular weight: 452.59

Ref: TR-KIT3855

N-Cyano-3-O-methyl Norbuprenorphine-d9

Controlled Product

CAS: 16614-60-1

Applications Intermediate in the preparation of labelled Buprenorphine derivatives.

Formula: C₂₇H₂₇D₉N₂O₄

Color and Shape: Neat

Molecular weight: 461.64

Ref: TR-C982092

N-Cyano-3-O-methyl Norbuprenorphine

Controlled Product

CAS: 16614-60-1

Applications Intermediate in the preparation of Buprenorphine derivatives.

Formula: C₂₇H₃₆N₂O₄

Color and Shape: White To Off-White

Molecular weight: 452.59

Ref: TR-C982090