CETOTIAMINE HYDROCHLORIDE MONOHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H26N4O6S.ClH.H2O
Molecular Weight	480.963
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of CETOTIAMINE HYDROCHLORIDE MONOHYDRATE

Structure Search

SMILES

O.Cl.CCOC(=O)OCC\C(SC(=O)OCC)=C(/C)N(CC1=C(N)N=C(C)N=C1)C=O

InChI

InChIKey=NRLOCOXPOJIONU-ZABRKXACSA-N

InChI=1S/C18H26N4O6S.ClH.H2O/c1-5-26-17(24)28-8-7-15(29-18(25)27-6-2)12(3)22(11-23)10-14-9-20-13(4)21-16(14)19;;/h9,11H,5-8,10H2,1-4H3,(H2,19,20,21);1H;1H2/b15-12-;;

HIDE SMILES / InChI

Molecular Formula	C18H26N4O6S
Molecular Weight	426.487
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

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	H2O
Molecular Weight	18.0153
Charge	0
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/20307527
Curator's Comment: Description was created based on several sources, including http://www.drugfuture.com/chemdata/cetotiamine.html

Dicethiamine hydrochloride (DCET) is a vitamin B(1) derivative that has excellent absorbability and transformability in tissues. It is an analogue of thiamine, improved performance in an animal model of complex fatigue.

Originator

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Combined mental and physical fatigue 3 Sources: http://www.ncbi.nlm.nih.gov/pubmed/20307527	Primary		Basic research	Unknown Approved Use Unknown
Diabetic neuropathy 23 Sources: http://www.ncbi.nlm.nih.gov/pubmed/5712928	Primary		Basic research	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
[Effect of dicethiamine hydrochloride on diabetic neuropathies].	1968 Dec 10	5712928
Anti-fatigue effect of dicethiamine hydrochloride is likely associated with excellent absorbability and high transformability in tissues as a Vitamin B(1).	2010 Jun 10	20307527

Patents

Sample Use Guides

In Vivo Use Guide

30 and 100mg/kg orally in rats

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:35:28 GMT 2023` Edited by `admin` on `Sat Dec 16 05:35:28 GMT 2023`
Record UNII	7C3PG6KUT4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CETOTIAMINE HYDROCHLORIDE MONOHYDRATE

Common Name

English

CETOTIAMINE HYDROCHLORIDE HYDRATE

Common Name

English

CETOTIAMINE HYDROCHLORIDE HYDRATE [JAN]

Common Name

English

O,S-BIS(ETHOXYCARBONYL)THIAMINE, HYDROCHLORIDE HYDRATE

Common Name

English

(3Z)-4-(N-((4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL)-N-FORMYLAMINO(-3-(ETHOXYCARBONYLSULFANYL)PENT-3-ENYL ETHYL CARBONATE MONOHYDROCHLORIDE MONOHYDRATE

Common Name

English

Code System Code Type Description

FDA UNII

7C3PG6KUT4