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Substance Name: Formamide, N,N'-(dithiobis(2-(2-hydroxyethyl)-1-methyl-2,1-ethanediyl))bis(N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-, compd. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)
RN: 36410-91-0
InChIKey: ZIVLLNQYFKESHP-LBQDPBSMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H34-N8-O4-S2.C7-H8-N4-O2

Molecular Weight

  • 742.883
 
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Names and Synonyms

Synonyms

  • Thiamindisulfidmonotheophyllinat
  • Thiamindisulfidmonotheophyllinat [German]
  • Thiamine disulfide monotheophyllinate

Systematic Name

  • Formamide, N,N'-(dithiobis(2-(2-hydroxyethyl)-1-methyl-2,1-ethanediyl))bis(N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-, compd. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)

Registry Numbers

CAS Registry Number

  • 36410-91-0

System Generated Number

  • 0036410910

Molecular Formulas

Molecular Formula

  • C24-H34-N8-O4-S2.C7-H8-N4-O2

Molecular Formula Fragments

  • C24-H34-N8-O4-S2
  • C7-H8-N4-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C24H34N8O4S2.C7H8N4O2/c1-15(31(13-35)11-19-9-27-17(3)29-23(19)25)21(5-7-33)37-38-22(6-8-34)16(2)32(14-36)12-20-10-28-18(4)30-24(20)26;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h9-10,13-14,33-34H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30);3H,1-2H3,(H,8,9)/b21-15-,22-16-;

InChIKey

ZIVLLNQYFKESHP-LBQDPBSMSA-N

Smiles

[nH]1c2c(nc1)n(C)c(=O)n(C)c2=O.S(SC(=C(/C)N(C=O)Cc1c(nc(nc1)C)N)\CCO)C(=C(/C)N(C=O)Cc1c(nc(nc1)C)N)\CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2450mg/kg (2450mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2042940,
mouse LD50 intravenous 1650mg/kg (1650mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2042940,
mouse LD50 oral 3650mg/kg (3650mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2042940,