TOBUTEROL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C28H31NO5
Molecular Weight	461.5494
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TOBUTEROL

Structure Search

SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC(=CC(OC(=O)C3=CC=C(C)C=C3)=C2)C(O)CNC(C)(C)C

InChI

InChIKey=GYJSIOWQEUTITA-UHFFFAOYSA-N

InChI=1S/C28H31NO5/c1-18-6-10-20(11-7-18)26(31)33-23-14-22(25(30)17-29-28(3,4)5)15-24(16-23)34-27(32)21-12-8-19(2)9-13-21/h6-16,25,29-30H,17H2,1-5H3

HIDE SMILES / InChI

Molecular Formula	C28H31NO5
Molecular Weight	461.5494
Charge	0
Count

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

Description
Sources: DOI: 10.1039/C5RA01012H | Elks, J. (2014) The Dictionary of Drugs: Chemical Data, page 1160, retrieved from: https://books.google.ru/books?id=0vXTBwAAQBAJ

Tobuterol is a bronchodilator agent. It is a beta2-adrenergic ligand.

Approval Year

PubMed

PubMed

Title	Date	PubMed
Immobilised histidine tagged β2-adrenoceptor oriented by a diazonium salt reaction and its application in exploring drug-protein interaction using ephedrine and pseudoephedrine as probes.	2014	24747442
Investigation on temperature-induce conformational change of immobilized β(2) adrenergic receptor.	2017 Dec 16	28851653

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:30:41 GMT 2023` Edited by `admin` on `Fri Dec 15 15:30:41 GMT 2023`
Record UNII	17B9PXO2SW
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

TOBUTEROL

Official Name

English

tobuterol [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C48149

Created by admin on Fri Dec 15 15:30:41 GMT 2023 , Edited by admin on Fri Dec 15 15:30:41 GMT 2023

Code System Code Type Description

DRUG CENTRAL

2685

Created by admin on Fri Dec 15 15:30:41 GMT 2023 , Edited by admin on Fri Dec 15 15:30:41 GMT 2023

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FDA UNII

17B9PXO2SW

Created by admin on Fri Dec 15 15:30:41 GMT 2023 , Edited by admin on Fri Dec 15 15:30:41 GMT 2023

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PUBCHEM

178147

Created by admin on Fri Dec 15 15:30:41 GMT 2023 , Edited by admin on Fri Dec 15 15:30:41 GMT 2023

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SMS_ID

100000077745

Created by admin on Fri Dec 15 15:30:41 GMT 2023 , Edited by admin on Fri Dec 15 15:30:41 GMT 2023

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ChEMBL

CHEMBL2105513

Created by admin on Fri Dec 15 15:30:41 GMT 2023 , Edited by admin on Fri Dec 15 15:30:41 GMT 2023

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NCI_THESAURUS

C76550

Created by admin on Fri Dec 15 15:30:41 GMT 2023 , Edited by admin on Fri Dec 15 15:30:41 GMT 2023

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EPA CompTox

DTXSID80868367

Created by admin on Fri Dec 15 15:30:41 GMT 2023 , Edited by admin on Fri Dec 15 15:30:41 GMT 2023

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INN

5034

Created by admin on Fri Dec 15 15:30:41 GMT 2023 , Edited by admin on Fri Dec 15 15:30:41 GMT 2023

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CAS

75626-99-2

Created by admin on Fri Dec 15 15:30:41 GMT 2023 , Edited by admin on Fri Dec 15 15:30:41 GMT 2023

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EVMPD

SUB11135MIG

Created by admin on Fri Dec 15 15:30:41 GMT 2023 , Edited by admin on Fri Dec 15 15:30:41 GMT 2023

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Related Record Type Details


					17B9PXO2SW

TOBUTEROL

ACTIVE MOIETY