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Substance Name: Thiopyrano(3,4-d)imidazole, 1(or 3),4,6,7-tetrahydro-4-((cyclopentylamino)methyl)-, fumarate (1:1)
RN: 100650-75-7
InChIKey: OIUZLMFUYNTISO-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H19-N3-S.C4-H4-O4

Molecular Weight

  • 463.6219
 
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Names and Synonyms

Synonym

  • 4-(N-Cyclopentylaminomethyl)-1(3),4,6,7-tetrahydro-1(3H)-thiopyrano(3,4-d)imidazole fumarate

Systematic Name

  • Thiopyrano(3,4-d)imidazole, 1(or 3),4,6,7-tetrahydro-4-((cyclopentylamino)methyl)-, fumarate (1:1)

Registry Numbers

CAS Registry Number

  • 100650-75-7

System Generated Number

  • 0100650757

Molecular Formulas

Molecular Formula

  • C12-H19-N3-S.C4-H4-O4

Molecular Formula Fragments

  • C12-H19-N3-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C12H17N3OS4.C4H4O4/c17-9-8-10(14-6-15(8)20)12(19,16-11(9)18)5-13-7-3-1-2-4-7;5-3(6)1-2-4(7)8/h6-7,13,17-20H,1-5H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

OIUZLMFUYNTISO-WLHGVMLRSA-N

Smiles

c1nc2c(n1S)C(=C(OC2(CNC3CCCC3)S)S)S.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 100mg/kg (100mg/kg)   Farmaco, Edizione Scientifica. Vol. 41, Pg. 23, 1986.