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

Molecular Formula	C20H31NO5
Molecular Weight	365.4638
Charge	0
Count

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

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

Sample Use Guides

In Vivo Use Guide

ibuterol, 0.75 mg

Route of Administration: Respiratory

Substance Class	Chemical Created by `admin` on `Wed Apr 02 06:57:07 GMT 2025` Edited by `admin` on `Wed Apr 02 06:57:07 GMT 2025`
Record UNII	7V12DUP1CE
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

IBUTEROL

Official Name

English

ibuterol [INN]

Preferred Name

English

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

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C48149

Created by admin on Wed Apr 02 06:57:07 GMT 2025 , Edited by admin on Wed Apr 02 06:57:07 GMT 2025

Code System Code Type Description

ECHA (EC/EINECS)

258-311-4

Created by admin on Wed Apr 02 06:57:07 GMT 2025 , Edited by admin on Wed Apr 02 06:57:07 GMT 2025

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INN

3592

Created by admin on Wed Apr 02 06:57:07 GMT 2025 , Edited by admin on Wed Apr 02 06:57:07 GMT 2025

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EVMPD

SUB08101MIG

Created by admin on Wed Apr 02 06:57:07 GMT 2025 , Edited by admin on Wed Apr 02 06:57:07 GMT 2025

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CAS

53034-85-8

Created by admin on Wed Apr 02 06:57:07 GMT 2025 , Edited by admin on Wed Apr 02 06:57:07 GMT 2025

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PUBCHEM

68698

Created by admin on Wed Apr 02 06:57:07 GMT 2025 , Edited by admin on Wed Apr 02 06:57:07 GMT 2025

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FDA UNII

7V12DUP1CE

Created by admin on Wed Apr 02 06:57:07 GMT 2025 , Edited by admin on Wed Apr 02 06:57:07 GMT 2025

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NCI_THESAURUS

C83775

Created by admin on Wed Apr 02 06:57:07 GMT 2025 , Edited by admin on Wed Apr 02 06:57:07 GMT 2025

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MESH

C011287

Created by admin on Wed Apr 02 06:57:07 GMT 2025 , Edited by admin on Wed Apr 02 06:57:07 GMT 2025

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EPA CompTox

DTXSID70866296

Created by admin on Wed Apr 02 06:57:07 GMT 2025 , Edited by admin on Wed Apr 02 06:57:07 GMT 2025

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SMS_ID

100000083669

Created by admin on Wed Apr 02 06:57:07 GMT 2025 , Edited by admin on Wed Apr 02 06:57:07 GMT 2025

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ChEMBL

CHEMBL2104339

Created by admin on Wed Apr 02 06:57:07 GMT 2025 , Edited by admin on Wed Apr 02 06:57:07 GMT 2025

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