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Substance Name: 1H-Benzimidazol-5-amine, 4,5,6,7-tetrahydro-1-ethyl-N-(2-methylpropyl)-, (E)-2-butenedioate (2:3)
RN: 96224-09-8
InChIKey: WWILBWASWLUGMT-VQYXCCSOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H23-N3.3/2C4-H4-O4

Molecular Weight

  • 790.9062
 
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Names and Synonyms

  • 1H-Benzimidazol-5-amine, 4,5,6,7-tetrahydro-1-ethyl-N-(2-methylpropyl)-, (E)-2-butenedioate (2:3)

Registry Numbers

CAS Registry Number

  • 96224-09-8

System Generated Number

  • 0096224098

Molecular Formulas

Molecular Formula

  • C13-H23-N3.3/2C4-H4-O4

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/2C13H23N3.3C4H4O4/c2*1-4-16-9-15-12-7-11(5-6-13(12)16)14-8-10(2)3;3*5-3(6)1-2-4(7)8/h2*9-11,14H,4-8H2,1-3H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+

InChIKey

WWILBWASWLUGMT-VQYXCCSOSA-N

Smiles

c1nc2c(n1CC)CCC(C2)NCC(C)C.C(=O)(/C=C/C(=O)O)O.c1nc2c(n1CC)CCC(C2)NCC(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. 40, Pg. 818, 1985.