IBUTEROL

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Investigational

Investigational

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
Circulatory effects of oral and subcutaneous administration in normal subjects of a new bronchodilator, ibuterol, a pro-drug to terbutaline.	1976 Sep	974376
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

Substance Class	Chemical Created by `admin` on `Thu Jul 06 21:29:21 UTC 2023` Edited by `admin` on `Thu Jul 06 21:29:21 UTC 2023`
Record UNII	7V12DUP1CE
Record Status	`Validated (UNII)`
Record Version

Download

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 Thu Jul 06 21:29:21 UTC 2023 , Edited by admin on Thu Jul 06 21:29:21 UTC 2023

Code System Code Type Description

ECHA (EC/EINECS)

258-311-4

Created by admin on Thu Jul 06 21:29:21 UTC 2023 , Edited by admin on Thu Jul 06 21:29:21 UTC 2023

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INN

3592

Created by admin on Thu Jul 06 21:29:21 UTC 2023 , Edited by admin on Thu Jul 06 21:29:21 UTC 2023

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EVMPD

SUB08101MIG

Created by admin on Thu Jul 06 21:29:21 UTC 2023 , Edited by admin on Thu Jul 06 21:29:21 UTC 2023

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CAS

53034-85-8

Created by admin on Thu Jul 06 21:29:21 UTC 2023 , Edited by admin on Thu Jul 06 21:29:21 UTC 2023

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PUBCHEM

68698

Created by admin on Thu Jul 06 21:29:21 UTC 2023 , Edited by admin on Thu Jul 06 21:29:21 UTC 2023

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FDA UNII

7V12DUP1CE

Created by admin on Thu Jul 06 21:29:21 UTC 2023 , Edited by admin on Thu Jul 06 21:29:21 UTC 2023

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NCI_THESAURUS

C83775

Created by admin on Thu Jul 06 21:29:21 UTC 2023 , Edited by admin on Thu Jul 06 21:29:21 UTC 2023

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MESH

C011287

Created by admin on Thu Jul 06 21:29:21 UTC 2023 , Edited by admin on Thu Jul 06 21:29:21 UTC 2023

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EPA CompTox

DTXSID70866296

Created by admin on Thu Jul 06 21:29:21 UTC 2023 , Edited by admin on Thu Jul 06 21:29:21 UTC 2023

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SMS_ID

100000083669

Created by admin on Thu Jul 06 21:29:21 UTC 2023 , Edited by admin on Thu Jul 06 21:29:21 UTC 2023

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ChEMBL

CHEMBL2104339

Created by admin on Thu Jul 06 21:29:21 UTC 2023 , Edited by admin on Thu Jul 06 21:29:21 UTC 2023

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