N-DESETHYLOXYBUTYNIN

Investigational

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H27NO3
Molecular Weight	329.4333
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCNCC#CCOC(=O)C(O)(C1CCCCC1)C2=CC=CC=C2

InChI

InChIKey=SNIBJKHIKIIGPR-UHFFFAOYSA-N

InChI=1S/C20H27NO3/c1-2-21-15-9-10-16-24-19(22)20(23,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3,5-6,11-12,18,21,23H,2,4,7-8,13-16H2,1H3

HIDE SMILES / InChI

Molecular Formula	C20H27NO3
Molecular Weight	329.4333
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Effects of 4-ethylamino-2-butynyl(2-cyclohexyl-2-phenyl)glycolate hydrochloride, a metabolite of oxybutynin, on bladder specimens and rhythmic bladder contraction in rats in comparison with oxybutynin.	2004 Feb	14978349
[Effect of 4-ethylamino-2-butynyl(2-cyclohexyl-2-phenyl) glycolate, metabolite of oxybutynin, on intra-artery administered acetylcholine-induced urinary bladder contraction in anesthetized dogs].	2004 May	15118260

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:32:24 UTC 2023` Edited by `admin` on `Sat Dec 16 07:32:24 UTC 2023`
Record UNII	8809SNK4F7
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

N-DESETHYLOXYBUTYNIN

Common Name

English

NT0502

Code

English

NRX-101

Code

English

N-DESETHYLOXYBUTYNIN, (±)-

Common Name

English

BENZENEACETIC ACID, .ALPHA.-CYCLOHEXYL-.ALPHA.-HYDROXY-, 4-(ETHYLAMINO)-2-BUTYN-1-YL ESTER

Systematic Name

English

NT-0502

Code

English

Code System Code Type Description

CAS

80976-67-6

Created by admin on Sat Dec 16 07:32:25 UTC 2023 , Edited by admin on Sat Dec 16 07:32:25 UTC 2023

PRIMARY

EPA CompTox

DTXSID701001668

Created by admin on Sat Dec 16 07:32:25 UTC 2023 , Edited by admin on Sat Dec 16 07:32:25 UTC 2023

PRIMARY

FDA UNII

8809SNK4F7

Created by admin on Sat Dec 16 07:32:25 UTC 2023 , Edited by admin on Sat Dec 16 07:32:25 UTC 2023

PRIMARY

PUBCHEM

133577

Created by admin on Sat Dec 16 07:32:25 UTC 2023 , Edited by admin on Sat Dec 16 07:32:25 UTC 2023

PRIMARY

Related Record Type Details


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Amount:


					HD6V2A9QPV

N-DESETHYLOXYBUTYNIN HYDROCHLORIDE

SALT/SOLVATE -> PARENT


					1Q66P17XPM

N-DESETHYLOXYBUTYNIN, (S)-

ENANTIOMER -> RACEMATE

Related Record Type Details


					K9P6MC7092

Oxybutynin

PARENT -> METABOLITE ACTIVE