(5α,7α)-4,5-Epoxy-18,19-dihydro-7-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-3,6-dimethoxy-6,14-ethenomorphinan-17-carbonitrile
-
(5α,7α)-4,5-Epoxy-18,19-dihydro-7-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-3,6-dimethoxy-6,14-ethenomorphinan-17-carbonitrile
structure -
-
CAS No:
16614-60-1
-
Formula:
C27H36N2O4
-
Chemical 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
-
Synonyms:
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 No:
(5α,7α)-4,5-Epoxy-18,19-dihydro-7-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-3,6-dimethoxy-6,14-ethenomorphinan-17-carbonitrile Basic Attributes
452.58574
452.59
605-429-2
DTXSID30631487
Safety Information
P261, P264, P270, P271, P272, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P312, P321, P330, P333+P313, P342+P311, P363, P501
H302
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P312, P321, P330, P333+P313, P342+P311, P363, and P501|Aggregated GHS information provided by 91 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
(5α,7α)-4,5-Epoxy-18,19-dihydro-7-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-3,6-dimethoxy-6,14-ethenomorphinan-17-carbonitrile Use and Manufacturing
Intermediate in the preparation of Buprenorphine derivatives.
Computed Properties
Molecular Weight:452.6
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:452.26750763
Monoisotopic Mass:452.26750763
Topological Polar Surface Area:75
Heavy Atom Count:33
Complexity:894
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
(5α,7α)-4,5-Epoxy-18,19-dihydro-7-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-3,6-dimethoxy-6,14-ethenomorphinan-17-carbonitrile
SDSRequest for Quotation