CETOTIAMINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H26N4O6S
Molecular Weight	426.487
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=YBROOZNJUDHTGE-QINSGFPZSA-N

InChI=1S/C18H26N4O6S/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)/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

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 `Fri Dec 15 16:38:55 GMT 2023` Edited by `admin` on `Fri Dec 15 16:38:55 GMT 2023`
Record UNII	67IKV111BO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CETOTIAMINE

Official Name

English

N-(5-(ETHOXYCARBONYLOXY)-3-(ETHOXYCARBONYLTHIO)-2-PENTEN-2-YL)-N-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)FORMAMIDE

Systematic Name

English

cetotiamine [INN]

Common Name

English

CETOTIAMINE [MI]

Common Name

English

S-ESTER OF O-ETHYL THIOCARBONATE WITH N-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-N-(4-HYDROXY-2-MERCAPTO-1-METHYL-1-BUTENYL)FORMAMIDE ETHYL CARBONATE

Common Name

English

Cetotiamine [WHO-DD]

Common Name

English

Code System Code Type Description

PUBCHEM

3033983