EGUALEN SODIUM HYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	3C15H17O3S.3Na.H2O
Molecular Weight	919.061
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.[Na+].[Na+].[Na+].CCC1=CC(=C2C=C(C=CC=C12)C(C)C)S([O-])(=O)=O.CCC3=CC(=C4C=C(C=CC=C34)C(C)C)S([O-])(=O)=O.CCC5=CC(=C6C=C(C=CC=C56)C(C)C)S([O-])(=O)=O

InChI

InChIKey=NLAZKIKOGLLKFO-UHFFFAOYSA-K

InChI=1S/3C15H18O3S.3Na.H2O/c3*1-4-11-9-15(19(16,17)18)14-8-12(10(2)3)6-5-7-13(11)14;;;;/h3*5-10H,4H2,1-3H3,(H,16,17,18);;;;1H2/q;;;3*+1;/p-3

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C15H17O3S
Molecular Weight	277.359
Charge	-1
Count

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

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

Description
Sources: http://www.ncbi.nlm.nih.gov/pubmed/23568973

Egualen is an azulene derivative developed for the treatment of peptic ulcer and marketed in Japan under the tradename Azuloxa. The drug exerts its antiulcer activity by antagonizing TXA2 production.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
thromboxane A2 signaling pathway 5 Target ID: GO:0038193 Sources: http://www.ncbi.nlm.nih.gov/pubmed/23568973	Antagonist 2778
gastric mucosal blood circulation 6 Target ID: GO:1990768 Sources: http://www.ncbi.nlm.nih.gov/pubmed/23568973	Activator 1430
mucus secretion 7 Target ID: GO:0070254 Sources: http://www.ncbi.nlm.nih.gov/pubmed/23568973	Activator 1430

Conditions

Condition	Modality	Targets	Highest Phase	Product
Gastric ulcer 67 Sources: http://www.eisai.com/news/enews201620pdf.pdf	Primary		Approved 8429	AZULOXA Approved Use Unknown

PubMed

Title	Date	PubMed

Sample Use Guides

In Vivo Use Guide

1 tablet (15 mg) or 0.6 g of 2.5% granules twice a day.

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:22:47 GMT 2023` Edited by `admin` on `Sat Dec 16 05:22:47 GMT 2023`
Record UNII	249501B040
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EGUALEN SODIUM HYDRATE

Common Name

English

TRI(EGUALEN SODIUM) MONOHYDRATE

Common Name

English

EGUALEN SODIUM HYDRATE [JAN]

Common Name

English

Code System Code Type Description

FDA UNII

249501B040

Created by admin on Sat Dec 16 05:22:47 GMT 2023 , Edited by admin on Sat Dec 16 05:22:47 GMT 2023

PRIMARY

PUBCHEM

11954341

Created by admin on Sat Dec 16 05:22:47 GMT 2023 , Edited by admin on Sat Dec 16 05:22:47 GMT 2023

PRIMARY

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EGUALEN

ACTIVE MOIETY

Details

SMILES

InChI

DescriptionSources: http://www.ncbi.nlm.nih.gov/pubmed/23568973

Originator

Approval Year

Targets

Conditions

Approved Use

PubMed

Sample Use Guides

Description
Sources: http://www.ncbi.nlm.nih.gov/pubmed/23568973