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Substance Name: 1H-Benzimidazol-5-amine, 4,5,6,7-tetrahydro-N-butyl-1-ethyl-, (E)-2-butenedioate (2:3)
RN: 96224-07-6
InChIKey: DIJNJFMMAVRGTA-WLHGVMLRSA-O

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H23-N3.3/2C4-H4-O4

Molecular Weight

  • 338.425
 
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Names and Synonyms

Synonyms

  • 4,5,6,7-Tetrahydro-5-(butylamino)-1-ethylbenzimidazole fumarate (2:3)
  • Benzimidazole, 4,5,6,7-tetrahydro-5-(butylamino)-1-ethyl-, fumarate (2:3)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 96224-07-6

System Generated Number

  • 0096224076

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/C13H23N3.C4H4O4/c1-3-5-8-14-11-6-7-13-12(9-11)15-10-16(13)4-2;5-3(6)1-2-4(7)8/h10-11,14H,3-9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p+1/b;2-1+

InChIKey

DIJNJFMMAVRGTA-WLHGVMLRSA-O

Smiles

C12=C(C[C@@H](CC2)[NH2+]CCCC)[N+]=C[N+]1CC.C(=C\C(=O)[O-])\C(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 200mg/kg (200mg/kg)   Farmaco, Edizione Scientifica. Vol. 40, Pg. 818, 1985.