INDACATEROL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H28N2O3
Molecular Weight	392.4907
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of INDACATEROL

Structure Search

SMILES

CCC1=CC2=C(CC(C2)NC[C@H](O)C3=CC=C(O)C4=C3C=CC(=O)N4)C=C1CC

InChI

InChIKey=QZZUEBNBZAPZLX-QFIPXVFZSA-N

InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H28N2O3
Molecular Weight	392.4907
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:17:24 UTC 2023` Edited by `admin` on `Fri Dec 15 17:17:24 UTC 2023`
Record UNII	8OR09251MQ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

INDACATEROL

Official Name

English

ONBREZ

Brand Name

English

QAB149

Code

English

INDACATEROL [USAN]

Common Name

English

5-{(1R)-2-[(5,6-Diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl}-8-hydroxyquinolin-2(1H)-one

Systematic Name

English

Indacaterol [WHO-DD]

Common Name

English

INDACTEROL

Common Name

English

INDACATEROL [VANDF]

Common Name

English

QAB-149

Code

English

INDACATEROL [MART.]

Common Name

English

INDACATEROL [MI]

Common Name

English

indacaterol [INN]

Common Name

English

Classification Tree Code System Code

WHO-VATC

QR03AC18

Created by admin on Fri Dec 15 17:17:25 UTC 2023 , Edited by admin on Fri Dec 15 17:17:25 UTC 2023

NDF-RT

N0000175779

Created by admin on Fri Dec 15 17:17:25 UTC 2023 , Edited by admin on Fri Dec 15 17:17:25 UTC 2023

EMA ASSESSMENT REPORTS

XOTERNA BREEZHALER (AUTHORIZED: PULMONARY DISEASE, CHRONIC OBSTRUCTIVE)

Created by admin on Fri Dec 15 17:17:25 UTC 2023 , Edited by admin on Fri Dec 15 17:17:25 UTC 2023

NCI_THESAURUS

C48149

Created by admin on Fri Dec 15 17:17:25 UTC 2023 , Edited by admin on Fri Dec 15 17:17:25 UTC 2023

EMA ASSESSMENT REPORTS

ULTIBRO BREEZHALER (AUTHORIZED: PULMONARY DISEASE, CHRONIC OBSTRUCTIVE)

Created by admin on Fri Dec 15 17:17:25 UTC 2023 , Edited by admin on Fri Dec 15 17:17:25 UTC 2023

WHO-ATC

R03AC18

Created by admin on Fri Dec 15 17:17:25 UTC 2023 , Edited by admin on Fri Dec 15 17:17:25 UTC 2023

WHO-ATC

R03AL04

Created by admin on Fri Dec 15 17:17:25 UTC 2023 , Edited by admin on Fri Dec 15 17:17:25 UTC 2023

WHO-VATC

QR03AL04

Created by admin on Fri Dec 15 17:17:25 UTC 2023 , Edited by admin on Fri Dec 15 17:17:25 UTC 2023

Code System Code Type Description

DRUG CENTRAL

4183

Created by admin on Fri Dec 15 17:17:25 UTC 2023 , Edited by admin on Fri Dec 15 17:17:25 UTC 2023

PRIMARY

LACTMED

Indacaterol

Created by admin on Fri Dec 15 17:17:25 UTC 2023 , Edited by admin on Fri Dec 15 17:17:25 UTC 2023

PRIMARY

MERCK INDEX

m6240

Created by admin on Fri Dec 15 17:17:25 UTC 2023 , Edited by admin on Fri Dec 15 17:17:25 UTC 2023

PRIMARY

Merck Index

SMS_ID

100000093052

Created by admin on Fri Dec 15 17:17:25 UTC 2023 , Edited by admin on Fri Dec 15 17:17:25 UTC 2023

PRIMARY

CHEBI

68575

Created by admin on Fri Dec 15 17:17:25 UTC 2023 , Edited by admin on Fri Dec 15 17:17:25 UTC 2023

PRIMARY

INN

8457

Created by admin on Fri Dec 15 17:17:25 UTC 2023 , Edited by admin on Fri Dec 15 17:17:25 UTC 2023

PRIMARY

DRUG BANK

DB05039

Created by admin on Fri Dec 15 17:17:25 UTC 2023 , Edited by admin on Fri Dec 15 17:17:25 UTC 2023

PRIMARY

WIKIPEDIA

INDACATEROL

Created by admin on Fri Dec 15 17:17:25 UTC 2023 , Edited by admin on Fri Dec 15 17:17:25 UTC 2023

PRIMARY

CAS

312753-06-3

Created by admin on Fri Dec 15 17:17:25 UTC 2023 , Edited by admin on Fri Dec 15 17:17:25 UTC 2023

PRIMARY

PUBCHEM

6918554

Created by admin on Fri Dec 15 17:17:25 UTC 2023 , Edited by admin on Fri Dec 15 17:17:25 UTC 2023

PRIMARY

ChEMBL

CHEMBL1095777

Created by admin on Fri Dec 15 17:17:25 UTC 2023 , Edited by admin on Fri Dec 15 17:17:25 UTC 2023

PRIMARY

RXCUI

1114326

Created by admin on Fri Dec 15 17:17:25 UTC 2023 , Edited by admin on Fri Dec 15 17:17:25 UTC 2023

PRIMARY

RxNorm

IUPHAR

7455

Created by admin on Fri Dec 15 17:17:25 UTC 2023 , Edited by admin on Fri Dec 15 17:17:25 UTC 2023

PRIMARY

EPA CompTox

DTXSID90185198

Created by admin on Fri Dec 15 17:17:25 UTC 2023 , Edited by admin on Fri Dec 15 17:17:25 UTC 2023

PRIMARY

FDA UNII

8OR09251MQ

Created by admin on Fri Dec 15 17:17:25 UTC 2023 , Edited by admin on Fri Dec 15 17:17:25 UTC 2023

PRIMARY

NCI_THESAURUS

C81644

Created by admin on Fri Dec 15 17:17:25 UTC 2023 , Edited by admin on Fri Dec 15 17:17:25 UTC 2023

PRIMARY

USAN

UU-171

Created by admin on Fri Dec 15 17:17:25 UTC 2023 , Edited by admin on Fri Dec 15 17:17:25 UTC 2023

PRIMARY

EVMPD

SUB30138

Created by admin on Fri Dec 15 17:17:25 UTC 2023 , Edited by admin on Fri Dec 15 17:17:25 UTC 2023

PRIMARY

Related Record Type Details


					9DX651UO0D

CYTOCHROME P450 1A1

METABOLIC ENZYME -> SUBSTRATE

Amount:


					J3BI9P40XE

INDACATEROL FUMARATE

SALT/SOLVATE -> PARENT


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE

Comments:

In vitro investigations indicated that indacaterol is a low affinity substrate for the efflux pump P-gp.


					8E4LAA4357

CYTOCHROME P450 2D6

METABOLIC ENZYME -> SUBSTRATE


					0RFO7VC96N

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A1

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR


					2JEC1ITX7R

INDACATEROL MALEATE

SALT/SOLVATE -> PARENT


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					8OR09251MQ

EXCRETED UNCHANGED

Qualification:

URINE

Amount:


					8OR09251MQ

EXCRETED UNCHANGED

Qualification:

FECAL

Amount:

Related Record Type Details


					S3YCF4P4TA

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5-((1R)-2-((5,6-DIETHYL-2,3-DIHYDRO-1H-INDEN-2-YL)AMINO)-1-HYDROXYETHYL)-1,2-DIHYDRO-2-OXO-8-QUINOLINYL

METABOLITE -> PARENT


					Z4R6HF3AU3

5-((1S)-2-((5-ETHYL-6-(1-HYDROXYETHYL)INDAN-2-YL)AMINO)-1-HYDROXY-ETHYL)-8-HYDROXY-1H-QUINOLIN-2-ONE

METABOLITE -> PARENT

Amount:


					KU8ZB5F5VG

2-((5,6-DIETHYLINDAN-2-YL)AMINO)ACETIC ACID

METABOLITE -> PARENT


					7WYL829GM7

2(1H)-QUINOLINONE, 5-((1R)-2-((5-ETHYL-2,3-DIHYDRO-6-(1-HYDROXYETHYL)-1H-INDEN-2-YL)AMINO)-1-HYDROXYETHYL)-8-HYDROXY-

METABOLITE -> PARENT

Amount:


					K01HR16459

(2S,3S,4S,5R)-6-((5,6-DIETHYLINDAN-2-YL)-((2R)-2-HYDROXY-2-(8-HYDROXY-2-OXO-1H-QUINOLIN-5-YL)ETHYL)AMINO)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

METABOLITE -> PARENT

Amount:


					35AK6D2XZJ

1H-INDEN-2-AMINE, 5,6-DIETHYL-2,3-DIHYDRO-

METABOLITE -> PARENT


					BG9UR3U9B2

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5-((1R)-2-((5-ETHYL-2,3-DIHYDRO-6-(1-HYDROXYETHYL)-1H-INDEN-2-YL)AMINO)-1-HYDROXYETHYL)-1,2-DIHYDRO-2-OXO-8-QUINOLINYL

METABOLITE -> PARENT

Amount:

Related Record Type Details


					8OR09251MQ

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC				INTRAVENOUS INFUSION

Tmax	PHARMACOKINETIC				SINGLE OR REPEATED INHALED DOSES