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Clobutinol

Clobutinol structure

CAS No:
14860-49-2
Formula:
C14H22ClNO
Chemical Name:
Clobutinol
Synonyms:
Benzeneethanol,4-chloro-α-[2-(dimethylamino)-1-methylethyl]-α-methyl-;Phenethyl alcohol,p-chloro-α-[2-(dimethylamino)-1-methylethyl]-α-methyl-;4-Chloro-α-[2-(dimethylamino)-1-methylethyl]-α-methylbenzeneethanol;Clobutinol;2-(p-Chlorobenzyl)-3-dimethylaminomethyl-2-butanol;1-p-Chlorophenyl-2,3-dimethyl-4-dimethylamino-2-butanol;1-(4-Chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol
Categories:
Organic Chemistry > Amides

Description

1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethyl-2-butanol is an organic amino compound and a member of benzenes.|Clobutinol is a cough suppressant that is withdrawn from the US and EU markets. Clobutinol may prolong the QT interval. In 2007, Clobutinol was determined to cause cardiac arrhythmia in some patients.

Clobutinol Basic Attributes

Molecular Weight：

255.787

Exact Mass：

255.78

EC Number：

238-926-4

UNII：

1NY2IX043A

DSSTox ID：

DTXSID2022838

ATC Code：

R - Respiratory system

HScode：

2922199090

Characteristics

PSA：

23.5

XLogP3：

2.83120

Density：

1.0373 (rough estimate)

Boiling Point：

179.5 °C

Refractive Index：

1.6330 (estimate)

Drug Information

MeSH：

Agents that suppress cough. They act centrally on the medullary cough center. EXPECTORANTS, also used in the treatment of cough, act locally. (See all compounds classified as Antitussive Agents.)

MeSH Entry Terms：

Biotetrussin

Computed Properties

Molecular Weight:255.78
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:255.1389920
Monoisotopic Mass:255.1389920
Topological Polar Surface Area:23.5
Heavy Atom Count:17
Complexity:226
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes