BENEXATE HYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H27N3O4.ClH
Molecular Weight	445.939
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.NC(=N)NC[C@H]1CC[C@@H](CC1)C(=O)OC2=C(C=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChIKey=ZNYYFCHDQJQKOK-AELULUIVSA-N

InChI=1S/C23H27N3O4.ClH/c24-23(25)26-14-16-10-12-18(13-11-16)21(27)30-20-9-5-4-8-19(20)22(28)29-15-17-6-2-1-3-7-17;/h1-9,16,18H,10-15H2,(H4,24,25,26);1H/t16-,18-;

HIDE SMILES / InChI

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

Molecular Formula	C23H27N3O4
Molecular Weight	409.4782
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: http://www.e-ce.org/upload/pdf/29400520.pdf
Curator's Comment: description was created based on several sources, including, http://www.ncbi.nlm.nih.gov/pubmed/27446246

Benexate is an active ingredient of benexate.CD or benexate hydrochloride betadex, a beta-cyclodextrin complex. Benexate was approved for the treatment of Gastric Ulcer in Japan. The terapeuthic effect of benexate is associated with promotion of prostaglandin synthesis, inhibition of acid secretion and increase in mucosal blood flow.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
prostaglandin biosynthetic process 23 Target ID: GO:0001516 Sources: http://www.ncbi.nlm.nih.gov/pubmed/27446246	Activator 1430
gastric acid secretion 6 Target ID: GO:0001696 Sources: http://www.ncbi.nlm.nih.gov/pubmed/27446246	Inhibitor 8297
gastric mucosal blood circulation 6 Target ID: GO:1990768 Sources: http://www.ncbi.nlm.nih.gov/pubmed/27446246	Activator 1430

Conditions

Condition	Modality	Targets	Highest Phase	Product
Gastric ulcer 67 Sources: http://backoffice.phillipcapital.in/Backoffice/Researchfiles/PC_-_Lupin_Co_Udpate_-_Aug_2016_20160802190017.pdf	Primary		Approved 8429	ULGUT Approved Use Unknown
Gastritis 45 Sources: http://backoffice.phillipcapital.in/Backoffice/Researchfiles/PC_-_Lupin_Co_Udpate_-_Aug_2016_20160802190017.pdf	Primary		Approved 8429	ULGUT Approved Use Unknown

PubMed

Title	Date	PubMed
Syntheses and inhibitory effects on gastric lesions of trans-guanidinomethylcyclohexane carboxylic acid arylamides.	1993 Mar	8477502
In-vitro and in-vivo antibacterial activity of plaunotol, a cytoprotective antiulcer agent, against Helicobacter pylori.	1996 May	8737142
Differential effect of benexate hydrochloride betadex on prostaglandin levels in stomach and inflammatory site in rats.	1996 Oct	8912919

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:43:44 GMT 2023` Edited by `admin` on `Fri Dec 15 17:43:44 GMT 2023`
Record UNII	QVN4YYK2C6
Record Status	`Validated (UNII)`
Record Version

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Related Record	Type

Name

Type

Language

BENEXATE HYDROCHLORIDE

Common Name

English

Benexate hcl beta-cyclodextrin clathrate [WHO-DD]

Common Name

English

Benexate hydrochloride [WHO-DD]

Common Name

English

BENEXATE HCL

Common Name

English

BENEXATE HYDROCHLORIDE [MI]

Common Name

English

BENZYL SALICYLATE TRANS-4-(GUANIDINOMETHYL)CYCLOHEXANECARBOXYLATE HYDROCHLORIDE

Systematic Name

English

BENZOIC ACID, 2-(((TRANS-4-(((AMINOIMINOMETHYL)AMINO)METHYL)CYCLOHEXYL)CARBONYL)OXY)-, PHENYLMETHYL ESTER, HYDROCHLORIDE (1:1)

Common Name

English

BENEXATE HYDROCHLORIDE [MART.]

Common Name

English

(±)-BENEXATE HYDROCHLORIDE

Common Name

English

Code System Code Type Description

MERCK INDEX

m2310