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Substance Name: Allithiamine
RN: 554-44-9
UNII: 83SWN21920
InChIKey: WNCAVNGLACHSRZ-KAMYIIQDSA-N

Molecular Formula

  • C15-H22-N4-O2-S2

Molecular Weight

  • 354.497
 
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Names and Synonyms

Name of Substance

  • Allithiamine

Synonyms

  • N-(4-Amino-2-methyl-5-pyrimidinylmethyl)-N-(2-allyldithio-4-hydroxy-1-methyl-1-butenyl)formamid
  • TAD
  • Thiamin-allyl-disulfid
  • UNII-83SWN21920

Systematic Name

  • Formamide, N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-1-methyl-2-(2-propenyldithio)-1-butenyl)-

Registry Numbers

CAS Registry Number

  • 554-44-9

FDA UNII

  • 83SWN21920

System Generated Number

  • 0000554449

Structure Descriptors

InChI

1S/C15H22N4O2S2/c1-4-7-22-23-14(5-6-20)11(2)19(10-21)9-13-8-17-12(3)18-15(13)16/h4,8,10,20H,1,5-7,9H2,2-3H3,(H2,16,17,18)/b14-11-

InChIKey

WNCAVNGLACHSRZ-KAMYIIQDSA-N

Smiles

c1(nc(N)c(cn1)CN(\C(C)=C(\CCO)SSCC=C)C=O)C