CETOTIAMINE HYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H26N4O6S.ClH
Molecular Weight	462.948
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=LIOJHMDIELWKFZ-OBBOLZQKSA-N

InChI=1S/C18H26N4O6S.ClH/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/b15-12-;

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	C18H26N4O6S
Molecular Weight	426.487
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
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
Anti-fatigue effect of dicethiamine hydrochloride is likely associated with excellent absorbability and high transformability in tissues as a Vitamin B(1).	2010-06-10	20307527
[Effect of dicethiamine hydrochloride on diabetic neuropathies].	1968-12-10	5712928

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 `Mon Mar 31 19:27:52 GMT 2025` Edited by `admin` on `Mon Mar 31 19:27:52 GMT 2025`
Record UNII	4Q9TEB340S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CETOTIAMINE HYDROCHLORIDE

Common Name

English

CARBONIC ACID, 4-(((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMYLAMINO)-3-((ETHOXYCARBONYL)THIO)-3- PENTENYL ETHYL ESTER, MONOHYDROCHLORIDE

Preferred Name

English

Cetotiamine hydrochloride [WHO-DD]

Common Name

English

CETOTIAMINE HCL

Common Name

English

CARBONIC ACID, 4-(((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMYLAMINO)-3-((ETHOXYCARBONYL)THIO)-3-PENTEN-1-YL ETHYL ESTER, HYDROCHLORIDE (1:1)

Common Name

English

N-(4-AMINO-2-METHYLPYRIMIDIN-5-YLMETHYL)-N-(4-(ETHOXYCARBONYLOXY)-2-(ETHOXYCARBONYLTHIO)-1-METHYLBUT-1-ENYL)FORMAMIDE HYDROCHLORIDE

Systematic Name

English

O,S-BIS(ETHOXYCARBONYL)THIAMINE HYDROCHLORIDE

Common Name

English

CETOTIAMINE HYDROCHLORIDE [MART.]

Common Name

English

Code System Code Type Description

SMS_ID

100000084705