Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Cetotiamine hydrochloride [JAN]
RN: 616-96-6
UNII: 4Q9TEB340S
InChIKey: LIOJHMDIELWKFZ-OBBOLZQKSA-N

Note

  • An anti-fatigue agent.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H26-N4-O6-S.Cl-H

Molecular Weight

  • 462.952
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Cetotiamine hydrochloride
  • Cetotiamine hydrochloride [JAN]

Synonyms

  • Dicetamin
  • Dicethiamine hydrochloride
  • UNII-4Q9TEB340S

Systematic Name

  • Carbonic acid, 4-(((4-amino-2-methyl-5-pyrimidinyl)methyl)formylamino)-3-((ethoxycarbonyl)thio)-3-pentenyl ethyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 616-96-6

FDA UNII

  • 4Q9TEB340S

System Generated Number

  • 0000616966

Molecular Formulas

Molecular Formula

  • C18-H26-N4-O6-S.Cl-H

Molecular Formula Fragments

  • C18-H26-N4-O6-S
  • Cl-H
  • COMPONENT

Structure Descriptors

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-;

InChIKey

LIOJHMDIELWKFZ-OBBOLZQKSA-N

Smiles

c1(nc(c(CN(C=O)\C(=C(/SC(OCC)=O)CCOC(OCC)=O)C)cn1)N)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 442mg/kg (442mg/kg)   Drugs in Japan Vol. -, Pg. 452, 1990.
mouse LD50 oral 4gm/kg (4000mg/kg)   Drugs in Japan Vol. -, Pg. 452, 1990.
mouse LD50 subcutaneous 2315mg/kg (2315mg/kg)   Drugs in Japan Vol. -, Pg. 452, 1990.