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(αS,5α,7α)-α-(1,1-Dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-α-methyl-6,14-ethenomorphinan-7-methanol

(αS,5α,7α)-α-(1,1-Dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-α-methyl-6,14-ethenomorphinan-7-methanol structure

CAS No:
16614-59-8
Formula:
C26H37NO4
Chemical Name:
(αS,5α,7α)-α-(1,1-Dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-α-methyl-6,14-ethenomorphinan-7-methanol
Synonyms:
6,14-Ethenomorphinan-7-methanol,α-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-α-methyl-,(αS,5α,7α)-;6,14-endo-Ethanotetrahydrothebaine,17-demethyl-7α-(1-hydroxy-1,2,2-trimethylpropyl)-;6,14-Ethenomorphinan-7-methanol,α-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-α-methyl-,[5α,7α(S)]-;(αS,5α,7α)-α-(1,1-Dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-α-methyl-6,14-ethenomorphinan-7-methanol;3-O-Methylnorbuprenorphine;Norbuprenorphine 3-methyl ether
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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(αS,5α,7α)-α-(1,1-Dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-α-methyl-6,14-ethenomorphinan-7-methanol Basic Attributes

Molecular Weight：

427.57628

Exact Mass：

427.58

EC Number：

605-428-7

DSSTox ID：

DTXSID40673055

Characteristics

PSA：

XLogP3：

4.1

Density：

1.22±0.1 g/cm3(Predicted)

Melting Point：

169 - 171 °C (ethanol)

Boiling Point：

556.0±50.0 °C(Predicted)

Safety Information

Precautionary statement(s)：

P264, P270, P273, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P301+P312, P330, and P501|Aggregated GHS information provided by 110 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(αS,5α,7α)-α-(1,1-Dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-α-methyl-6,14-ethenomorphinan-7-methanol Use and Manufacturing

Intermediate in the preparation of Morphinan analogs.

Computed Properties

Molecular Weight:427.6
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:427.27225866
Monoisotopic Mass:427.27225866
Topological Polar Surface Area:60
Heavy Atom Count:31
Complexity:767
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Latest News on (αS,5α,7α)-α-(1,1-Dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-α-methyl-6,14-ethenomorphinan-7-methanol

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Guide of (αS,5α,7α)-α-(1,1-Dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-α-methyl-6,14-ethenomorphinan-7-methanol

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
Learn More Other Chemicals

(αS,5α,7α)-α-(1,1-Dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-α-methyl-6,14-ethenomorphinan-7-methanol

SDS

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