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Substance Name: Bisbutytiamine [JAN]
RN: 18481-23-7
UNII: 6A8BO41Z90
InChIKey: YMEBNAABDXLAJE-UHFFFAOYSA-N

Molecular Formula

  • C32-H46-N8-O6-S2

Molecular Weight

  • 702.8974
 
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Names and Synonyms

Name of Substance

  • Bisbutytiamine [JAN]

Synonyms

  • Bisbutitiamine
  • Bisbutytiamine
  • EINECS 242-370-8
  • o-Butyrylthiamine disulfide
  • UNII-6A8BO41Z90

Systematic Names

  • Dithiobis(3-(1-(((4-amino-2-methylpyrimidin-5-yl)methyl)formylamino)ethylidene)propane-3,1-diyl) dibutyrate
  • o-Butyrylthiamine disulfide

Registry Numbers

CAS Registry Number

  • 18481-23-7

FDA UNII

  • 6A8BO41Z90

System Generated Number

  • 0018481237

Structure Descriptors

InChI

1S/C32H46N8O6S2/c1-7-9-29(43)45-13-11-27(21(3)39(19-41)17-25-15-35-23(5)37-31(25)33)47-48-28(12-14-46-30(44)10-8-2)22(4)40(20-42)18-26-16-36-24(6)38-32(26)34/h15-16,19-20H,7-14,17-18H2,1-6H3,(H2,33,35,37)(H2,34,36,38)

InChIKey

YMEBNAABDXLAJE-UHFFFAOYSA-N

Smiles

CCCC(=O)OCCC(=C(C)N(Cc1cnc(C)nc1N)C=O)SSC(=C(C)N(Cc2cnc(C)nc2N)C=O)CCOC(=O)CCC