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Details

Stereochemistry RACEMIC
Molecular Formula C20H27NO3.ClH
Molecular Weight 365.894
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DESETHYLOXYBUTYNIN HYDROCHLORIDE

SMILES

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

InChI

InChIKey=DSWCYTSHCYXHGW-UHFFFAOYSA-N
InChI=1S/C20H27NO3.ClH/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;1H

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 ( + / - )

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
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
[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
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 15:09:02 UTC 2023
Edited
by admin
on Sat Dec 16 15:09:02 UTC 2023
Record UNII
HD6V2A9QPV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DESETHYLOXYBUTYNIN HYDROCHLORIDE
Common Name English
NT-0502 HYDROCHLORIDE
Code English
N-DESETHYLOXYBUTYNIN, (±)-, HYDROCHLORIDE
Common Name English
NRX-101 HYDROCHLORIDE
Code English
BENZENEACETIC ACID, .ALPHA.-CYCLOHEXYL-.ALPHA.-HYDROXY-, 4-(ETHYLAMINO)-2-BUTYN-1-YL ESTER, HYDROCHLORIDE (1:1)
Systematic Name English
NT0502 HUDROCHLORIDE
Code English
Code System Code Type Description
FDA UNII
HD6V2A9QPV
Created by admin on Sat Dec 16 15:09:02 UTC 2023 , Edited by admin on Sat Dec 16 15:09:02 UTC 2023
PRIMARY
PUBCHEM
9842085
Created by admin on Sat Dec 16 15:09:02 UTC 2023 , Edited by admin on Sat Dec 16 15:09:02 UTC 2023
PRIMARY
CAS
81039-77-2
Created by admin on Sat Dec 16 15:09:02 UTC 2023 , Edited by admin on Sat Dec 16 15:09:02 UTC 2023
PRIMARY
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