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Substance Name: 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-((hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl)-, (E)-2-butenedioate, hydrate (2:3:1)
RN: 95894-00-1
InChIKey: CMTPUOZGNDMLPE-BLDZYXLFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H56-N8-O2.3C4-H4-O4.H2-O

Molecular Weight

  • 999.122
 
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Names and Synonyms

Synonym

  • 1-(2-Ethoxyethyl)-2-(4-methyl-1-homopiperazinyl)methylbenzimidazole fumarate hydrate (2:3:1)

Systematic Name

  • 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-((hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl)-, (E)-2-butenedioate, hydrate (2:3:1)

Registry Numbers

CAS Registry Number

  • 95894-00-1

System Generated Number

  • 0095894001

Molecular Formulas

Molecular Formula

  • C36-H56-N8-O2.3C4-H4-O4.H2-O

Molecular Formula Fragments

  • C36-H56-N8-O2
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C18H28N4O.3C4H4O4.H2O/c2*1-3-23-14-13-22-17-8-5-4-7-16(17)19-18(22)15-21-10-6-9-20(2)11-12-21;3*5-3(6)1-2-4(7)8;/h2*4-5,7-8H,3,6,9-15H2,1-2H3;3*1-2H,(H,5,6)(H,7,8);1H2/b;;3*2-1+;

InChIKey

CMTPUOZGNDMLPE-BLDZYXLFSA-N

Smiles

c1(nc2c(n1CCOCC)cccc2)CN1CCN(CCC1)C.C(=O)(/C=C/C(=O)O)O.O.c1(nc2c(n1CCOCC)cccc2)CN1CCN(CCC1)C.C(=O)(/C=C/C(=O)O)O.C(=O)(/C=C/C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 990mg/kg (990mg/kg)   United States Patent Document. Vol. #4603130,