MABUTEROL HYDROCHLORIDE

Details

Stereochemistry	RACEMIC
Molecular Formula	C13H18ClF3N2O.ClH
Molecular Weight	347.204
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CC(C)(C)NCC(O)C1=CC(Cl)=C(N)C(=C1)C(F)(F)F

InChI

InChIKey=MMCDXJOMPMIKGP-UHFFFAOYSA-N

InChI=1S/C13H18ClF3N2O.ClH/c1-12(2,3)19-6-10(20)7-4-8(13(15,16)17)11(18)9(14)5-7;/h4-5,10,19-20H,6,18H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C13H18ClF3N2O
Molecular Weight	310.743
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: http://www.scbt.com/datasheet-211757-mabuterol.html
Curator's Comment: description was created based on several sources, including http://www.ncbi.nlm.nih.gov/pubmed/6152155

Mabuterol is a long acting βeta 2-adrenergic agonist which stimulates adenylyl cyclase activity and the closing of calcium channels. Studies indicate that the R enantiomer of mabuterol is more potent than the S enantiomer. In addition, the half-life is longer in the R enantiomer than the S. Studies conducted on rats and dogs show that mabuterol acts as a bronchodilator. At high concentrations mabuterol can also antagonize beta1 adrenoceptors in guinea pigs

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Beta-2 adrenergic receptor 203 Target ID: CHEMBL210 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2474351	Agonist 2678

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

PubMed

Title	Date	PubMed
Determination of beta-agonists in liver and retina by liquid chromatography-tandem mass spectrometry.	2005 Jan-Feb	15759727
Determination of beta-agonist residues in bovine urine using liquid chromatography-tandem mass spectrometry.	2005 Jan-Feb	15759725
How to decrease ion suppression in a multiresidue determination of beta-agonists in animal liver and urine by liquid chromatography-mass spectrometry with ion-trap detector.	2009 Apr 1	19286029
[Determination of fifteen beta-agonists in animal urine by high performance liquid chromatography-tandem mass spectrometry].	2010 Aug	21261043

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:25:21 GMT 2023` Edited by `admin` on `Sat Dec 16 05:25:21 GMT 2023`
Record UNII	536V290790
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MABUTEROL HYDROCHLORIDE

Common Name

English

(±)-MABUTEROL HYDROCHLORIDE

Common Name

English

Mabuterol hydrochloride [WHO-DD]

Common Name

English

MABUTEROL DL-FORM HYDROCHLORIDE [MI]

Common Name

English

MABUTEROL MONOHYDROCHLORIDE

Common Name

English

MABUTEROL HYDROCHLORIDE [JAN]

Common Name

English

DL-MABUTEROL HYDROCHLORIDE

Common Name

English

BENZENEMETHANOL, 4-AMINO-3-CHLORO-.ALPHA.-(((1,1-DIMETHYLETHYL)AMINO)METHYL)-5-(TRIFLUOROMETHYL)-, HYDROCHLORIDE (1:1)

Systematic Name

English

KF-868

Code

English

PB-868CL

Code

English

BENZENEMETHANOL, 4-AMINO-3-CHLORO-.ALPHA.-(((1,1-DIMETHYLETHYL)AMINO)METHYL)-5-(TRIFLUOROMETHYL)-, MONOHYDROCHLORIDE

Common Name

English

MABUTEROL HCL

Common Name

English

BRONCHOLIN

Brand Name

English

Code System Code Type Description

FDA UNII

536V290790