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Substance Name: Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(hexahydro-1H-azepin-1-yl)-, fumarate (1:3)
RN: 99700-14-8
InChIKey: PQNHMYQWEPYZJQ-LDFLFNBESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H25-N3.3C4-H4-O4

Molecular Weight

  • 595.5983
 
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Names and Synonyms

Synonym

  • 4,5,6,7-Tetrahydro-1-ethyl-5-(hexahydro-1H-azepin-1-yl)benzimidazole fumarate (1:3)

Systematic Name

  • Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(hexahydro-1H-azepin-1-yl)-, fumarate (1:3)

Registry Numbers

CAS Registry Number

  • 99700-14-8

System Generated Number

  • 0099700148

Molecular Formulas

Molecular Formula

  • C15-H25-N3.3C4-H4-O4

Molecular Formula Fragments

  • C15-H25-N3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C15H25N3.3C4H4O4/c1-2-17-12-16-14-11-13(7-8-15(14)17)18-9-5-3-4-6-10-18;3*5-3(6)1-2-4(7)8/h12-13H,2-11H2,1H3;3*1-2H,(H,5,6)(H,7,8)/b;3*2-1+

InChIKey

PQNHMYQWEPYZJQ-LDFLFNBESA-N

Smiles

CCn1c2c(nc1)CC(CC2)N3CCCCCC3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 400mg/kg (400mg/kg)   Farmaco, Edizione Scientifica. Vol. 40, Pg. 818, 1985.