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Bufeniode

Bufeniode structure

CAS No:
22103-14-6
Formula:
C19H23I2NO2
Chemical Name:
Bufeniode
Synonyms:
Benzenemethanol,4-hydroxy-3,5-diiodo-α-[1-[(1-methyl-3-phenylpropyl)amino]ethyl]-;Benzyl alcohol,4-hydroxy-3,5-diiodo-α-[1-[(1-methyl-3-phenylpropyl)amino]ethyl]-;4-Hydroxy-3,5-diiodo-α-[1-[(1-methyl-3-phenylpropyl)amino]ethyl]benzenemethanol;Diiodobuphenine;1-(4-Hydroxy-3,5-diiodophenyl)-2-(1-methyl-3-phenylpropylamino)propanol;Bufeniode;Proclival;Bufeniod;HF 241;Diastal;27909-92-8
Categories:
Organic Chemistry > Amides

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Description

Bufeniode is an alkylbenzene.

Bufeniode Basic Attributes

Molecular Weight：

551.196

Exact Mass：

551.20

EC Number：

244-781-8

UNII：

JC82071PQS

HScode：

2922509090

Characteristics

PSA：

52.5

XLogP3：

5.02510

Density：

1.744g/cm3

Melting Point：

212 °C

Boiling Point：

526.5ºC at 760mmHg

Flash Point：

272.2ºC

Refractive Index：

1.657

Toxicity：

LD50 in mice: >600 mg/kg i.p., >2 g/kg orally (Fourneau, Delourme)

Drug Information

MeSH Entry Terms：

bufeniode

Computed Properties

Molecular Weight:551.2
XLogP3:4.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:550.98182
Monoisotopic Mass:550.98182
Topological Polar Surface Area:52.5
Heavy Atom Count:24
Complexity:353
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes