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Substance Name: Thiopyrano(3,4-d)imidazole-4-methanamine, 1,4,6,7-tetrahydro-, (E)-2-butenedioate (2:3)
RN: 100650-73-5
InChIKey: IJHZTXOKKGICOG-VQYXCCSOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H22-N6-S2.3C4-H4-O4

Molecular Weight

  • 907.079
 
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Names and Synonyms

Synonyms

  • 1,4,6,7-Tetrahydrothiopyrano(3,4-d)imidazole-4-methanamine (E)-2-butenedioate (2:3)
  • 4-Aminomethyl-1(3),4,6,7-tetrahydro-1(3)H-thiopyrano(3,4-d)imidazole fumarate (2:3)

Systematic Name

  • Thiopyrano(3,4-d)imidazole-4-methanamine, 1,4,6,7-tetrahydro-, (E)-2-butenedioate (2:3)

Registry Numbers

CAS Registry Number

  • 100650-73-5

System Generated Number

  • 0100650735

Molecular Formulas

Molecular Formula

  • C14-H22-N6-S2.3C4-H4-O4

Molecular Formula Fragments

  • C14-H22-N6-S2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C7H9N3OS4.3C4H4O4/c2*8-1-7(14)5-3(10(15)2-9-5)4(12)6(13)11-7;3*5-3(6)1-2-4(7)8/h2*2,12-15H,1,8H2;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+

InChIKey

IJHZTXOKKGICOG-VQYXCCSOSA-N

Smiles

c1n(c2c(n1)C(OC(=C2S)S)(S)CN)S.c1n(c2c(n1)C(OC(=C2S)S)(S)CN)S.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 800mg/kg (800mg/kg)   Farmaco, Edizione Scientifica. Vol. 41, Pg. 23, 1986.