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Substance Name: 1H-Benzimidazol-5-amine, 4,5,6,7-tetrahydro-N-cyclopentyl-1-ethyl-, (E)-2-butenedioate (2:3)
RN: 96233-53-3
InChIKey: DYINUGHLRLLZSB-WLHGVMLRSA-O

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H23-N3.3/2C4-H4-O4

Molecular Weight

  • 350.436
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 96233-53-3

System Generated Number

  • 0096233533

Molecular Formulas

Molecular Formula

  • C14-H23-N3.3/2C4-H4-O4

Molecular Formula Fragments

  • C14-H23-N3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C14H23N3.C4H4O4/c1-2-17-10-15-13-9-12(7-8-14(13)17)16-11-5-3-4-6-11;5-3(6)1-2-4(7)8/h10-12,16H,2-9H2,1H3;1-2H,(H,5,6)(H,7,8)/p+1/b;2-1+

InChIKey

DYINUGHLRLLZSB-WLHGVMLRSA-O

Smiles

C12=C([N+](C=[N+]2)CC)CC[C@@H](C1)[NH2+]C1CCCC1.C(=C\C(=O)[O-])\C(=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.