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Substance Name: Pyrano(3,4-d)imidazole, 1(or 3),4,6,7-tetrahydro-4-(((2-methylpentyl)amino)methyl)-, fumarate (1:2)
RN: 95857-70-8
InChIKey: LURHNXOVHTYANS-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H23-N3-O.2C4-H4-O4

Molecular Weight

  • 469.4879
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 95857-70-8

System Generated Number

  • 0095857708

Molecular Formulas

Molecular Formula

  • C13-H23-N3-O.2C4-H4-O4

Molecular Formula Fragments

  • C13-H23-N3-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H23N3O.2C4H4O4/c1-3-4-10(2)7-14-8-12-13-11(5-6-17-12)15-9-16-13;2*5-3(6)1-2-4(7)8/h9-10,12,14H,3-8H2,1-2H3,(H,15,16);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

LURHNXOVHTYANS-LVEZLNDCSA-N

Smiles

c1nc2c([nH]1)CCOC2CNCC(CCC)C.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 > 200mg/kg (200mg/kg)   Farmaco, Edizione Scientifica. Vol. 41, Pg. 23, 1986.