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Substance Name: Cycotiamine [INN:JAN]
RN: 6092-18-8
UNII: FT8753F8R9
InChIKey: LLJDJQYGZBQFIF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-N4-O3-S

Molecular Weight

  • 308.3604
 
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Names and Synonyms

Name of Substance

  • Cycotiamine [INN:JAN]

Synonyms

  • Carbothiamine
  • Cicotiamina
  • Cicotiamina [INN-Spanish]
  • Cometamine
  • Commetamin
  • Cyclocarbothiamine
  • Cycothiamin
  • Cycothiamine
  • Cycotiamin
  • Cycotiamine
  • Cycotiaminum
  • Cycotiaminum [INN-Latin]
  • N-(1-(2-Oxo-1,3-oxathian-4-ylidene)ethyl)-N-((4-amino-2-methyl-5-pyrimidinyl)methyl)formamide
  • UNII-FT8753F8R9

Systematic Names

  • Formamide, N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(1-(2-oxo-1,3-oxathian-4-ylidene)ethyl)-,
  • N-(1-(2-Oxo-1,3-oxathian-4-ylidene)ethyl)-N-((4-amino-2-methyl-5-pyrimidinyl)methyl)formamide

Registry Numbers

CAS Registry Number

  • 6092-18-8

FDA UNII

  • FT8753F8R9

System Generated Number

  • 0006092188

Structure Descriptors

InChI

1S/C13H16N4O3S/c1-8(11-3-4-20-13(19)21-11)17(7-18)6-10-5-15-9(2)16-12(10)14/h5,7H,3-4,6H2,1-2H3,(H2,14,15,16)

InChIKey

LLJDJQYGZBQFIF-UHFFFAOYSA-N

Smiles

CC(=C1CCOC(=O)S1)N(Cc2cnc(C)nc2N)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 359mg/kg (359mg/kg)   Drugs in Japan Vol. 6, Pg. 316, 1982.
mouse LD50 oral 6050mg/kg (6050mg/kg)   Drugs in Japan Vol. 6, Pg. 316, 1982.
rat LD50 intravenous 580mg/kg (580mg/kg)   Drugs in Japan Vol. -, Pg. 447, 1990.
rat LD50 oral 7604mg/kg (7604mg/kg)   Drugs in Japan Vol. -, Pg. 447, 1990.