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Carbuterol

Carbuterol structure

CAS No:
34866-47-2
Formula:
C13H21N3O3
Chemical Name:
Carbuterol
Synonyms:
Urea,N-[5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-hydroxyphenyl]-;Urea,[5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-hydroxyphenyl]-;N-[5-[2-[(1,1-Dimethylethyl)amino]-1-hydroxyethyl]-2-hydroxyphenyl]urea;Carbuterol;161403-55-0
Categories:
Organic Chemistry > Amides

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Description

Carbuterol is a member of ureas.

Carbuterol Basic Attributes

Molecular Weight：

267.329

Exact Mass：

267.32

EC Number：

252-257-5

ATC Code：

R - Respiratory system

Characteristics

PSA：

108

XLogP3：

2.28200

Density：

1.248g/cm3

Melting Point：

174-176 °C

Boiling Point：

447.4ºC at 760mmHg

Flash Point：

224.4ºC

Refractive Index：

1.612

Toxicity：

LD50 in mice (mg/kg): 32.8 i.v.; 3134.6 orally; in rats: 77.2 i.v. (Wardell)

Drug Information

MeSH Entry Terms：

(5-(2-(tert-butylamino)-1-hydroxyethyl)-2-hydroxyphenyl)urea

Carbuterol Use and Manufacturing

Uses

Bronchodilator.

Use Classification：

Pharmaceuticals

Computed Properties

Molecular Weight:267.32
XLogP3:-0.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:267.15829154
Monoisotopic Mass:267.15829154
Topological Polar Surface Area:108
Heavy Atom Count:19
Complexity:304
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes