ABANOQUIL MESYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H25N3O4.CH4O3S
Molecular Weight	491.557
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.COC1=CC2=C(CN(CC2)C3=CC(N)=C4C=C(OC)C(OC)=CC4=N3)C=C1OC

InChI

InChIKey=FMDPOTBKJNHQLC-UHFFFAOYSA-N

InChI=1S/C22H25N3O4.CH4O3S/c1-26-18-7-13-5-6-25(12-14(13)8-19(18)27-2)22-10-16(23)15-9-20(28-3)21(29-4)11-17(15)24-22;1-5(2,3)4/h7-11H,5-6,12H2,1-4H3,(H2,23,24);1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula	C22H25N3O4
Molecular Weight	395.4516
Charge	0
Count

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

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/10845763

Abanoquil (UK-52,046), an antiarrhythmic drug, is an alpha 1-adrenoceptor antagonist, has been studied for the treatment of erectile dysfunction.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Adrenergic receptor alpha-1 169 Target ID: CHEMBL2094251 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10845763	Antagonist 2778

PubMed

Title	Date	PubMed
Dose-dependent alpha 1-adrenoceptor antagonist activity of the anti-arrhythmic drug, abanoquil (UK-52,046), without reduction in blood pressure in man.	1992 Apr	1349492
Abanoquil, a new alpha-1 adrenoceptor antagonist. In vitro and in vivo effect on erectile tissue.	2000 Mar	10845763
Abanoquil, a new alpha-1 adrenoceptor antagonist. In vitro and in vivo effect on erectile tissue.	2000 Mar	10849564

Patents

Sample Use Guides

In Vivo Use Guide

single oral doses of abanoquil 0.25, 0.5 and 1 mg

Route of Administration: Oral

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:55:49 GMT 2023` Edited by `admin` on `Sat Dec 16 09:55:49 GMT 2023`
Record UNII	MAX6HQS78D
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ABANOQUIL MESYLATE

Common Name

English

4-QUINOLINAMINE, 2-(3,4-DIHYDRO-6,7-DIMETHOXY-2(1H)-ISOQUINOLINYL)-6,7-DIMETHOXY-, METHANESULFONATE (1:1)

Systematic Name

English

4-QUINOLINAMINE, 2-(3,4-DIHYDRO-6,7-DIMETHOXY-2(1H)-ISOQUINOLINYL)-6,7-DIMETHOXY-, MONOMETHANESULFONATE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40922813

Created by admin on Sat Dec 16 09:55:49 GMT 2023 , Edited by admin on Sat Dec 16 09:55:49 GMT 2023

PRIMARY

FDA UNII

MAX6HQS78D

Created by admin on Sat Dec 16 09:55:49 GMT 2023 , Edited by admin on Sat Dec 16 09:55:49 GMT 2023

PRIMARY

PUBCHEM

164088

Created by admin on Sat Dec 16 09:55:49 GMT 2023 , Edited by admin on Sat Dec 16 09:55:49 GMT 2023

PRIMARY

CAS

118931-00-3

Created by admin on Sat Dec 16 09:55:49 GMT 2023 , Edited by admin on Sat Dec 16 09:55:49 GMT 2023

PRIMARY

Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/10845763

Approval Year

Targets

PubMed

Patents

Sample Use Guides

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/10845763