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Substance Name: Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(1-pyrrolidinyl)-, fumarate (2:5)
RN: 99700-13-7
InChIKey: NVTUASFBDILMKR-KNNUVFKNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H21-N3.5/2C4-H4-O4

Molecular Weight

  • 1019.0178
 
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Names and Synonyms

Synonyms

  • 1H-Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(1-pyrrolidinyl)-, (E)-2-butenedioate (2:5)
  • 4,5,6,7-Tetrahydro-1-ethyl-5-(1-pyrrolidinyl)benzimidazole fumarate (2:5)

Systematic Name

  • Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(1-pyrrolidinyl)-, fumarate (2:5)

Registry Numbers

CAS Registry Number

  • 99700-13-7

System Generated Number

  • 0099700137

Molecular Formulas

Molecular Formula

  • C13-H21-N3.5/2C4-H4-O4

Molecular Formula Fragments

  • C13-H21-N3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C13H21N3.5C4H4O4/c2*1-2-15-10-14-12-9-11(5-6-13(12)15)16-7-3-4-8-16;5*5-3(6)1-2-4(7)8/h2*10-11H,2-9H2,1H3;5*1-2H,(H,5,6)(H,7,8)/b;;5*2-1+

InChIKey

NVTUASFBDILMKR-KNNUVFKNSA-N

Smiles

CCn1c2c(nc1)CC(CC2)N3CCCC3.CCn1c2c(nc1)CC(CC2)N3CCCC3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.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 800mg/kg (800mg/kg)   Farmaco, Edizione Scientifica. Vol. 40, Pg. 818, 1985.