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Substance Name: 1H-Benzimidazol-5-amine, 4,5,6,7-tetrahydro-1-ethyl-N-(1-methylethyl)-, (E)-2-butenedioate (2:3)
RN: 96224-05-4
InChIKey: NKGWHXQTZMIUJG-LFGUXHRESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H21-N3.3/2C4-H4-O4

Molecular Weight

  • 854.0999
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 96224-05-4

System Generated Number

  • 0096224054

Molecular Formulas

Molecular Formula

  • C12-H21-N3.3/2C4-H4-O4

Molecular Formula Fragments

  • C12-H21-N3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/3C12H21N3.2C4H4O4/c3*1-4-15-8-13-11-7-10(14-9(2)3)5-6-12(11)15;2*5-3(6)1-2-4(7)8/h3*8-10,14H,4-7H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;;;2*2-1+

InChIKey

NKGWHXQTZMIUJG-LFGUXHRESA-N

Smiles

c1nc2c(n1CC)CCC(C2)NC(C)C.C(=O)(/C=C/C(=O)O)O.c1nc2c(n1CC)CCC(C2)NC(C)C.c1nc2c(n1CC)CCC(C2)NC(C)C.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.