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Oxetorone

Oxetorone structure

CAS No:
26020-55-3
Formula:
C21H21NO2
Chemical Name:
Oxetorone
Synonyms:
1-Propanamine,3-benzofuro[3,2-c][1]benzoxepin-6(12H)-ylidene-N,N-dimethyl-;Benzofuro[3,2-c][1]benzoxepin-Δ6(12H),γ-propylamine,N,N-dimethyl-;Benzofuro[3,2-c][1]benzoxepin,1-propanamine deriv.;3-Benzofuro[3,2-c][1]benzoxepin-6(12H)-ylidene-N,N-dimethyl-1-propanamine;6-(3-Dimethylaminopropylidene)benzofuro[2,3-e]-12H-benzo[b]oxepine;Oxetorone

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Description

Oxetorone is an oxacycle.

Oxetorone Basic Attributes

Molecular Weight：

319.39700

Exact Mass：

319.40

EC Number：

247-411-3

UNII：

T3XOS33TIQ

ATC Code：

N - Nervous system

Characteristics

PSA：

25.61000

XLogP3：

4.70860

Density：

1.201g/cm3

Boiling Point：

462.7ºC at 760 mmHg

Flash Point：

233.6ºC

Refractive Index：

1.664

Vapor Pressure：

9.64E-09mmHg at 25°C

Drug Information

MeSH Entry Terms：

6-(3-dimethylamino-1-propylidene) benzofuro(2,3-e)-12H-benzo(b)oxepine fumarate

Computed Properties

Molecular Weight:319.4
XLogP3:4.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:319.157228913
Monoisotopic Mass:319.157228913
Topological Polar Surface Area:25.6
Heavy Atom Count:24
Complexity:461
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: triethylamine; peg 40; phenylacetaldehyde; dimethyl terephthalate; sodium saccharin; melting point range acetanilide

Guide of Oxetorone

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

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