ESPROQUIN

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C14H21NOS
Molecular Weight	251.388
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ESPROQUIN

Structure Search

SMILES

CC[S+]([O-])CCCN1CCC2=C(C1)C=CC=C2

InChI

InChIKey=YKKQKMDOWYCXEX-UHFFFAOYSA-N

InChI=1S/C14H21NOS/c1-2-17(16)11-5-9-15-10-8-13-6-3-4-7-14(13)12-15/h3-4,6-7H,2,5,8-12H2,1H3

HIDE SMILES / InChI

Molecular Formula	C14H21NOS
Molecular Weight	251.388
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/4146907 | https://www.ncbi.nlm.nih.gov/pubmed/4698571

Esproquine is a tetrahydroisoquinoline derivative. It exerts positive inotropic effect and increases arterial pressure.

Originator

Approval Year

PubMed

PubMed

Title	Date	PubMed
Preparation and cardiovascular actions of a group of tetrahydroisoquinoline derivatives.	1973 Jul	4146907
Positive inotropic effect of oral esproquin in normal subjects.	1973 May-Jun	4698571

Sample Use Guides

In Vivo Use Guide

single oral doses of 100, 200, or 300 mg esproquine

Route of Administration: Oral

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:06:16 GMT 2023` Edited by `admin` on `Fri Dec 15 16:06:16 GMT 2023`
Record UNII	3JYK9XFM9K
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ESPROQUIN

Common Name

English

ESPROQUINE

Official Name

English

2-(3-ETHYLSULFINYLPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE

Systematic Name

English

esproquine [INN]

Common Name

English

ISOQUINOLINE, 2-((3-(ETHYLSULFINYL)PROPYL)-1,2,3,4-TETRAHYDRO-

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29713

Created by admin on Fri Dec 15 16:06:16 GMT 2023 , Edited by admin on Fri Dec 15 16:06:16 GMT 2023

Code System Code Type Description

CAS

37517-33-2

Created by admin on Fri Dec 15 16:06:16 GMT 2023 , Edited by admin on Fri Dec 15 16:06:16 GMT 2023

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SMS_ID

100000082380

Created by admin on Fri Dec 15 16:06:16 GMT 2023 , Edited by admin on Fri Dec 15 16:06:16 GMT 2023

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INN

3517

Created by admin on Fri Dec 15 16:06:16 GMT 2023 , Edited by admin on Fri Dec 15 16:06:16 GMT 2023

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FDA UNII

3JYK9XFM9K

Created by admin on Fri Dec 15 16:06:16 GMT 2023 , Edited by admin on Fri Dec 15 16:06:16 GMT 2023

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ChEMBL

CHEMBL2110833

Created by admin on Fri Dec 15 16:06:16 GMT 2023 , Edited by admin on Fri Dec 15 16:06:16 GMT 2023

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EVMPD

SUB07240MIG

Created by admin on Fri Dec 15 16:06:16 GMT 2023 , Edited by admin on Fri Dec 15 16:06:16 GMT 2023

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EPA CompTox

DTXSID40865872

Created by admin on Fri Dec 15 16:06:16 GMT 2023 , Edited by admin on Fri Dec 15 16:06:16 GMT 2023

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NCI_THESAURUS

C72568

Created by admin on Fri Dec 15 16:06:16 GMT 2023 , Edited by admin on Fri Dec 15 16:06:16 GMT 2023

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PUBCHEM

31951

Created by admin on Fri Dec 15 16:06:16 GMT 2023 , Edited by admin on Fri Dec 15 16:06:16 GMT 2023

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MESH

C002967

Created by admin on Fri Dec 15 16:06:16 GMT 2023 , Edited by admin on Fri Dec 15 16:06:16 GMT 2023

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Related Record Type Details


					1P9E5C9137

ESPROQUIN HYDROCHLORIDE

SALT/SOLVATE -> PARENT


					T3R460S762

ESPROQUINE, (S)-

ENANTIOMER -> RACEMATE


					SQ3W11R1HS

ESPROQUINE, (R)-

ENANTIOMER -> RACEMATE

Related Record Type Details


					3JYK9XFM9K

ESPROQUIN

ACTIVE MOIETY