IBUTEROL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H31NO5
Molecular Weight	365.4638
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of IBUTEROL

Structure Search

SMILES

CC(C)C(=O)OC1=CC(=CC(OC(=O)C(C)C)=C1)C(O)CNC(C)(C)C

InChI

InChIKey=WKHOPHIMYDJVSA-UHFFFAOYSA-N

InChI=1S/C20H31NO5/c1-12(2)18(23)25-15-8-14(17(22)11-21-20(5,6)7)9-16(10-15)26-19(24)13(3)4/h8-10,12-13,17,21-22H,11H2,1-7H3

HIDE SMILES / InChI

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/3503109 | https://www.ncbi.nlm.nih.gov/pubmed/851821

Ibuterol, a prodrug that is rapidly hydrolyzed to form a drug, terbutaline. Terbutaline, a beta-2 adrenergic agent used to treat asthma.

Approval Year

PubMed

PubMed

Title	Date	PubMed
Comparison between ibuterol hydrochloride and terbutaline in asthma.	1976 Jan 10	1106810
Circulatory effects of oral and subcutaneous administration in normal subjects of a new bronchodilator, ibuterol, a pro-drug to terbutaline.	1976 Sep	974376
Asthma: ibuterol versus terbutaline inhalation.	1977 Apr 16	851821
Effects of ibuterol, a beta-2 adrenergic prodrug, on intraocular pressure.	1986 Summer	3503109

Sample Use Guides

In Vivo Use Guide

ibuterol, 0.75 mg

Route of Administration: Respiratory

Name

Type

Language

IBUTEROL

Official Name

English

5-(2-(TERT-BUTYLAMINO)-1-HYDROXYETHYL)-M-PHENYLENE DIISOBUTYRATE

Systematic Name

English

ibuterol [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C48149

Created by admin on Sat Dec 16 15:57:29 GMT 2023 , Edited by admin on Sat Dec 16 15:57:29 GMT 2023

Code System Code Type Description

ECHA (EC/EINECS)

258-311-4

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INN

3592

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EVMPD

SUB08101MIG

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CAS

53034-85-8

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PUBCHEM

68698

Created by admin on Sat Dec 16 15:57:29 GMT 2023 , Edited by admin on Sat Dec 16 15:57:29 GMT 2023

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FDA UNII

7V12DUP1CE

Created by admin on Sat Dec 16 15:57:29 GMT 2023 , Edited by admin on Sat Dec 16 15:57:29 GMT 2023

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NCI_THESAURUS

C83775

Created by admin on Sat Dec 16 15:57:29 GMT 2023 , Edited by admin on Sat Dec 16 15:57:29 GMT 2023

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MESH

C011287

Created by admin on Sat Dec 16 15:57:29 GMT 2023 , Edited by admin on Sat Dec 16 15:57:29 GMT 2023

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EPA CompTox

DTXSID70866296

Created by admin on Sat Dec 16 15:57:29 GMT 2023 , Edited by admin on Sat Dec 16 15:57:29 GMT 2023

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SMS_ID

100000083669

Created by admin on Sat Dec 16 15:57:29 GMT 2023 , Edited by admin on Sat Dec 16 15:57:29 GMT 2023

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ChEMBL

CHEMBL2104339

Created by admin on Sat Dec 16 15:57:29 GMT 2023 , Edited by admin on Sat Dec 16 15:57:29 GMT 2023

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METABOLITE ACTIVE (PRODRUG)


					N8ONU3L3PG

SUBSTANCE RECORD


					7V12DUP1CE

IBUTEROL