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Substance Name: Pyrano(3,4-d)imidazole-4-methanamine, 1,4,6,7-tetrahydro-N-(1-methylethyl)-, (E)-2-butenedioate (1:2)
RN: 95857-68-4
InChIKey: HIEHBSWXQNYLSI-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H17-N3-O.2C4-H4-O4

Molecular Weight

  • 427.4075
 
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Names and Synonyms

Synonym

  • 4-(N-Isopropylaminomethyl)-1(3),4,6,7-tetrahydro-1(3)H-pyrano(3,4-d)imidazole difumarate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 95857-68-4

System Generated Number

  • 0095857684

Molecular Formulas

Molecular Formula

  • C10-H17-N3-O.2C4-H4-O4

Molecular Formula Fragments

  • C10-H17-N3-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C10H17N3O.2C4H4O4/c1-7(2)11-5-9-10-8(3-4-14-9)12-6-13-10;2*5-3(6)1-2-4(7)8/h6-7,9,11H,3-5H2,1-2H3,(H,12,13);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

HIEHBSWXQNYLSI-LVEZLNDCSA-N

Smiles

c1nc2c([nH]1)CCOC2CNC(C)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 > 800mg/kg (800mg/kg)   Farmaco, Edizione Scientifica. Vol. 41, Pg. 23, 1986.