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Inabenfide

Inabenfide structure

CAS No:
82211-24-3
Formula:
C19H15ClN2O2
Chemical Name:
Inabenfide
Synonyms:
4-Pyridinecarboxamide,N-[4-chloro-2-(hydroxyphenylmethyl)phenyl]-;N-[4-Chloro-2-(hydroxyphenylmethyl)phenyl]-4-pyridinecarboxamide;Inabenfide;Seritard;CGR 811;121036-55-3;127126-51-6
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Inabenfide is a diarylmethane.

Inabenfide Basic Attributes

Molecular Weight：

338.79

Exact Mass：

338.79

EC Number：

617-306-0

DSSTox ID：

DTXSID0058192

HScode：

29333990

Characteristics

PSA：

62.2

XLogP3：

4.14200

Density：

1.349 g/cm3

Melting Point：

211 °C

Boiling Point：

454.6ºC at 760 mmHg

Flash Point：

228.7ºC

Refractive Index：

1.677

Water Solubility：

2.95e-06 M

Storage Conditions：

0-6°C

Vapor Pressure：

4.73e-07 mmHg

Toxicity：

Oral-Rat LD50: > 15000 mg/kg; Oral-Mouse LD50: > 15000 mg/kg

Flammability characteristics：

Combustible; Fire site decomposes toxic nitrogen oxides and chloride fumes

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38:Irritating to eyes, respiratory system and skin .

safety instructions：

S26-S36/37/39

Marks：

Storage features：

Warehouse low temperature, ventilated, dry

Toxicity

Toxicity class：

practically nontoxic

Drug Information

MeSH Entry Terms：

4'-chloro-2'-(alpha-hydroxybenzyl)isonicotinanilide

Computed Properties

Molecular Weight:338.8
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:338.0822054
Monoisotopic Mass:338.0822054
Topological Polar Surface Area:62.2
Heavy Atom Count:24
Complexity:408
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes