Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Acefurtiamine [INN]
RN: 10072-48-7
UNII: 6APJ3D1308
InChIKey: MYBUGVXNAHWTOL-UHFFFAOYSA-N

Molecular Formula

  • C21-H24-N4-O2-S

Molecular Weight

  • 476.5076
 
* 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

  • Acefurtiamine [INN]

Synonyms

  • (Z)-4-(N-(4-Amino-2-methyl-5-pyrimidinylmethyl)formylamino)-3-(2-furoylthio)-3-pentenyl acetoxyacetat
  • Acefurtiamina
  • Acefurtiamine
  • Acefurtiaminum
  • S-Ester of Thio-2-furoic acid with N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide O-glycolate acetate
  • UNII-6APJ3D1308

Registry Numbers

CAS Registry Number

  • 10072-48-7

FDA UNII

  • 6APJ3D1308

System Generated Number

  • 0010072487

Structure Descriptors

InChI

1S/C21H24N4O7S/c1-13(25(12-26)10-16-9-23-14(2)24-20(16)22)18(33-21(29)17-5-4-7-30-17)6-8-31-19(28)11-32-15(3)27/h4-5,7,9,12H,6,8,10-11H2,1-3H3,(H2,22,23,24)

InChIKey

MYBUGVXNAHWTOL-UHFFFAOYSA-N

Smiles

CC(=O)OCC(=O)OCCC(=C(C)N(Cc1cnc(C)nc1N)C=O)SC(=O)c2occc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 130mg/kg (130mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 9, Pg. 1342, 1967.
mouse LD50 oral 7365mg/kg (7365mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 9, Pg. 1342, 1967.
mouse LD50 subcutaneous 1400mg/kg (1400mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 9, Pg. 1342, 1967.