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Substance Name: Pyrano(3,4-d)imidazole, 1(or 3),4,6,7-tetrahydro-4-((cyclohexylamino)methyl)-, fumarate (1:2)
RN: 95857-74-2
InChIKey: SUMZDODUGOSWSM-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H21-N3-O.2C4-H4-O4

Molecular Weight

  • 467.4721
 
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Names and Synonyms

Synonyms

  • 4-((Cyclohexylamino)methyl)-1(or 3),4,6,7-tetrahydropyrano(3,4-d)imidazole fumarate (1:2)
  • 4-(N-Cyclohexylaminomethyl)-1(3),4,6,7-tetrahydro-1(3)H-pyrano(3,4-d)imidazole difumarate

Systematic Name

  • Pyrano(3,4-d)imidazole, 1(or 3),4,6,7-tetrahydro-4-((cyclohexylamino)methyl)-, fumarate (1:2)

Registry Numbers

CAS Registry Number

  • 95857-74-2

System Generated Number

  • 0095857742

Molecular Formulas

Molecular Formula

  • C13-H21-N3-O.2C4-H4-O4

Molecular Formula Fragments

  • C13-H21-N3-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H21N3O.2C4H4O4/c1-2-4-10(5-3-1)14-8-12-13-11(6-7-17-12)15-9-16-13;2*5-3(6)1-2-4(7)8/h9-10,12,14H,1-8H2,(H,15,16);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

SUMZDODUGOSWSM-LVEZLNDCSA-N

Smiles

c1nc2c([nH]1)CCOC2CNC1CCCCC1.C(=O)(/C=C/C(=O)O)O.C(=O)(/C=C/C(=O)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.