TIOTROPIUM

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H22NO4S2
Molecular Weight	392.512
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of TIOTROPIUM

Structure Search

SMILES

[H][C@@]12O[C@]1([H])[C@H]3C[C@H](C[C@@H]2[N+]3(C)C)OC(=O)C(O)(C4=CC=CS4)C5=CC=CS5

InChI

InChIKey=LERNTVKEWCAPOY-DZZGSBJMSA-N

InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+

HIDE SMILES / InChI

Molecular Formula	C19H21NO4S2
Molecular Weight	391.504
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:21:19 UTC 2023` Edited by `admin` on `Fri Dec 15 16:21:19 UTC 2023`
Record UNII	0EB439235F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TIOTROPIUM

Common Name

English

Tiotropium [WHO-DD]

Common Name

English

TIOTROPIUM CATION

Common Name

English

3-OXA-9-AZONIATRICYCLO(3.3.1.02,4)NONANE, 7-((2-HYDROXY-2,2-DI-2-THIENYLACETYL)OXY)-9,9-DIMETHYL-, (1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.)-

Systematic Name

English

TIOTROPIUM ION

Common Name

English

TIOTROPIUM [VANDF]

Common Name

English

Classification Tree Code System Code

WHO-ATC

R03AL06

Created by admin on Fri Dec 15 16:21:20 UTC 2023 , Edited by admin on Fri Dec 15 16:21:20 UTC 2023

NDF-RT

N0000175370

Created by admin on Fri Dec 15 16:21:20 UTC 2023 , Edited by admin on Fri Dec 15 16:21:20 UTC 2023

NDF-RT

N0000175574

Created by admin on Fri Dec 15 16:21:20 UTC 2023 , Edited by admin on Fri Dec 15 16:21:20 UTC 2023

NCI_THESAURUS

C29704

Created by admin on Fri Dec 15 16:21:20 UTC 2023 , Edited by admin on Fri Dec 15 16:21:20 UTC 2023

WHO-ATC

R03BB54

Created by admin on Fri Dec 15 16:21:20 UTC 2023 , Edited by admin on Fri Dec 15 16:21:20 UTC 2023

Code System Code Type Description

DRUG BANK

DB01409

Created by admin on Fri Dec 15 16:21:20 UTC 2023 , Edited by admin on Fri Dec 15 16:21:20 UTC 2023

PRIMARY

NCI_THESAURUS

C76004

Created by admin on Fri Dec 15 16:21:20 UTC 2023 , Edited by admin on Fri Dec 15 16:21:20 UTC 2023

PRIMARY

DAILYMED

0EB439235F

Created by admin on Fri Dec 15 16:21:20 UTC 2023 , Edited by admin on Fri Dec 15 16:21:20 UTC 2023

PRIMARY

MESH

C079890

Created by admin on Fri Dec 15 16:21:20 UTC 2023 , Edited by admin on Fri Dec 15 16:21:20 UTC 2023

PRIMARY

CAS

186691-13-4

Created by admin on Fri Dec 15 16:21:20 UTC 2023 , Edited by admin on Fri Dec 15 16:21:20 UTC 2023

PRIMARY

EVMPD

SUB25691

Created by admin on Fri Dec 15 16:21:20 UTC 2023 , Edited by admin on Fri Dec 15 16:21:20 UTC 2023

PRIMARY

EPA CompTox

DTXSID5044281

Created by admin on Fri Dec 15 16:21:20 UTC 2023 , Edited by admin on Fri Dec 15 16:21:20 UTC 2023

PRIMARY

FDA UNII

0EB439235F

Created by admin on Fri Dec 15 16:21:20 UTC 2023 , Edited by admin on Fri Dec 15 16:21:20 UTC 2023

PRIMARY

LACTMED

Tiotropium

Created by admin on Fri Dec 15 16:21:20 UTC 2023 , Edited by admin on Fri Dec 15 16:21:20 UTC 2023

PRIMARY

SMS_ID

100000089907

Created by admin on Fri Dec 15 16:21:20 UTC 2023 , Edited by admin on Fri Dec 15 16:21:20 UTC 2023

PRIMARY

RXCUI

69120

Created by admin on Fri Dec 15 16:21:20 UTC 2023 , Edited by admin on Fri Dec 15 16:21:20 UTC 2023

PRIMARY

RxNorm

WIKIPEDIA

Tiotropium

Created by admin on Fri Dec 15 16:21:20 UTC 2023 , Edited by admin on Fri Dec 15 16:21:20 UTC 2023

PRIMARY

IUPHAR

367

Created by admin on Fri Dec 15 16:21:20 UTC 2023 , Edited by admin on Fri Dec 15 16:21:20 UTC 2023

PRIMARY

Related Record Type Details


					XX112XZP0J

TIOTROPIUM BROMIDE ANHYDROUS

SALT/SOLVATE -> PARENT


					L64SXO195N

TIOTROPIUM BROMIDE MONOHYDRATE

SALT/SOLVATE -> PARENT

0EB439235F

EXCRETED UNCHANGED

Comments:

after intravenous infusion in healthy young male subjects

Qualification:

URINE

Amount:


					8E4LAA4357

CYTOCHROME P450 2D6

METABOLIC ENZYME -> SUBSTRATE


					2292GX2183

TIOTROPIUM BROMIDE MONOMETHANOLATE

SALT/SOLVATE -> PARENT


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:

Related Record Type Details


					Y19J0IW68J

METABOLITE -> PARENT

Qualification:

FECAL; PLASMA; URINE


					RI3X2J9148

DI-2-THIENYLGLYCOLIC ACID

METABOLITE INACTIVE -> PARENT


					723A77PV2M

2-THIOPHENEGLYOXYLIC ACID

METABOLITE -> PARENT

Qualification:

PLASMA


					3V75J11G7I

METABOLITE INACTIVE -> PARENT

Comments:

nonenzymatically cleave

Related Record Type Details

0EB439235F

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Volume of Distribution	PHARMACOKINETIC				INTRAVENOUS INFUSION

Biological Half-life	PHARMACOKINETIC				INHALED ADMINISTRATION

Tmax	PHARMACOKINETIC				AT STEADY-STATE INHALED ADMINISTRATION