UMECLIDINIUM

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H34NO2
Molecular Weight	428.5858
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of UMECLIDINIUM

Structure Search

SMILES

OC(C1=CC=CC=C1)(C2=CC=CC=C2)C34CC[N+](CCOCC5=CC=CC=C5)(CC3)CC4

InChI

InChIKey=FVTWTVQXNAJTQP-UHFFFAOYSA-N

InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1

HIDE SMILES / InChI

Molecular Formula	C29H33NO2
Molecular Weight	427.5778
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:19:56 UTC 2023` Edited by `admin` on `Fri Dec 15 16:19:56 UTC 2023`
Record UNII	GE2T1418SV
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

UMECLIDINIUM

Official Name

English

1-(2-(BENZYLOXY)ETHYL)-4-(HYDROXY(DIPHENYL)METHYL)-1-AZONIABICYCLO(2.2.2)OCTANE

Systematic Name

English

UMECLIDINIUM [VANDF]

Common Name

English

UMECLIDINIUM CATION

Common Name

English

GSK-573719

Code

English

UMECLIDINIUM ION

Common Name

English

GSK573719

Code

English

UMECLIDINIUM [USAN]

Common Name

English

Umeclidinium [WHO-DD]

Common Name

English

Classification Tree Code System Code

NDF-RT

N0000175574

Created by admin on Fri Dec 15 16:19:56 UTC 2023 , Edited by admin on Fri Dec 15 16:19:56 UTC 2023

NCI_THESAURUS

C29704

Created by admin on Fri Dec 15 16:19:56 UTC 2023 , Edited by admin on Fri Dec 15 16:19:56 UTC 2023

WHO-ATC

R03AL03

Created by admin on Fri Dec 15 16:19:56 UTC 2023 , Edited by admin on Fri Dec 15 16:19:56 UTC 2023

Code System Code Type Description

USAN

XX-102

Created by admin on Fri Dec 15 16:19:56 UTC 2023 , Edited by admin on Fri Dec 15 16:19:56 UTC 2023

PRIMARY

DAILYMED

GE2T1418SV

Created by admin on Fri Dec 15 16:19:56 UTC 2023 , Edited by admin on Fri Dec 15 16:19:56 UTC 2023

PRIMARY

SMS_ID

100000143252

Created by admin on Fri Dec 15 16:19:56 UTC 2023 , Edited by admin on Fri Dec 15 16:19:56 UTC 2023

PRIMARY

IUPHAR

7354

Created by admin on Fri Dec 15 16:19:56 UTC 2023 , Edited by admin on Fri Dec 15 16:19:56 UTC 2023

PRIMARY

RXCUI

1487514

Created by admin on Fri Dec 15 16:19:56 UTC 2023 , Edited by admin on Fri Dec 15 16:19:56 UTC 2023

PRIMARY

RxNorm

PUBCHEM

11519070

Created by admin on Fri Dec 15 16:19:56 UTC 2023 , Edited by admin on Fri Dec 15 16:19:56 UTC 2023

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DRUG BANK

DB09076

Created by admin on Fri Dec 15 16:19:56 UTC 2023 , Edited by admin on Fri Dec 15 16:19:56 UTC 2023

PRIMARY

DRUG CENTRAL

4816

Created by admin on Fri Dec 15 16:19:56 UTC 2023 , Edited by admin on Fri Dec 15 16:19:56 UTC 2023

PRIMARY

NCI_THESAURUS

C152796

Created by admin on Fri Dec 15 16:19:56 UTC 2023 , Edited by admin on Fri Dec 15 16:19:56 UTC 2023

PRIMARY

CAS

869185-19-3

Created by admin on Fri Dec 15 16:19:56 UTC 2023 , Edited by admin on Fri Dec 15 16:19:56 UTC 2023

PRIMARY

CHEBI

79040

Created by admin on Fri Dec 15 16:19:56 UTC 2023 , Edited by admin on Fri Dec 15 16:19:56 UTC 2023

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EVMPD

SUB119777

Created by admin on Fri Dec 15 16:19:56 UTC 2023 , Edited by admin on Fri Dec 15 16:19:56 UTC 2023

PRIMARY

FDA UNII

GE2T1418SV

Created by admin on Fri Dec 15 16:19:56 UTC 2023 , Edited by admin on Fri Dec 15 16:19:56 UTC 2023

PRIMARY

LACTMED

Umeclidinium

Created by admin on Fri Dec 15 16:19:56 UTC 2023 , Edited by admin on Fri Dec 15 16:19:56 UTC 2023

PRIMARY

EPA CompTox

DTXSID00235971

Created by admin on Fri Dec 15 16:19:56 UTC 2023 , Edited by admin on Fri Dec 15 16:19:56 UTC 2023

PRIMARY

ChEMBL

CHEMBL1187833

Created by admin on Fri Dec 15 16:19:56 UTC 2023 , Edited by admin on Fri Dec 15 16:19:56 UTC 2023

PRIMARY

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Interaction Type:

BINDING

Amount:


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UMECLIDINIUM BROMIDE

SALT/SOLVATE -> PARENT

Amount:


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MUSCARINIC ACETYLCHOLINE RECEPTOR M2

TARGET -> INHIBITOR


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MUSCARINIC ACETYLCHOLINE RECEPTOR M3

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Amount:


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MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE

Comments:

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					8E4LAA4357

CYTOCHROME P450 2D6

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR

Related Record Type Details


					RD3A5XD3FE

4-((1-(2-BENZYLOXYETHYL)QUINUCLIDIN-1-IUM-4-YL)-HYDROXY-PHENYL-METHYL)PHENOL

METABOLITE -> PARENT


					H8W87JZ3H2

4-(2-(4-(HYDROXY(DIPHENYL)METHYL)QUINUCLIDIN-1-IUM-1-YL)ETHOXYMETHYL)BENZENE-1,2-DIOL

METABOLITE -> PARENT


					6AQ69DH8PC

4-(2-(4-(HYDROXY(DIPHENYL)METHYL)QUINUCLIDIN-1-IUM-1-YL)ETHOXYMETHYL)PHENOL

METABOLITE -> PARENT


					NTT66YHP9Y

2-(4-(HYDROXY(DIPHENYL)METHYL)-1-AZONIABICYCLO(2.2.2)OCTAN-1-YL)ETHANOL

METABOLITE -> PARENT

Amount:

Related Record Type Details


					GE2T1418SV

ACTIVE MOIETY

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

Volume of Distribution	PHARMACOKINETIC