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Substance Name: 1H-Benzimidazole, 5-nitro-1-(4-(1-piperidinyl)-2-butynyl)-2-((4-(1-piperidinyl)-2-butynyl)thio)-
RN: 112094-05-0
InChIKey: HTYGVQNVTZXEIB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H31-N5-O2-S

Molecular Weight

  • 465.6189
 
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Names and Synonyms

Synonym

  • 1-(4-Piperidino-2-butynyl)-2-(4-piperidino-2-butynylthio)-5-nitro-1H-benzimidazole

Systematic Name

  • 1H-Benzimidazole, 5-nitro-1-(4-(1-piperidinyl)-2-butynyl)-2-((4-(1-piperidinyl)-2-butynyl)thio)-

Registry Numbers

CAS Registry Number

  • 112094-05-0

System Generated Number

  • 0112094050

Structure Descriptors

InChI

1S/C25H31N5O2S/c31-30(32)22-11-12-24-23(21-22)26-25(33-20-10-9-18-28-15-5-2-6-16-28)29(24)19-8-7-17-27-13-3-1-4-14-27/h11-12,21H,1-6,13-20H2

InChIKey

HTYGVQNVTZXEIB-UHFFFAOYSA-N

Smiles

c1cc2c(cc1[N+](=O)[O-])nc(n2CC#CCN3CCCCC3)SCC#CCN4CCCCC4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1650mg/kg (1650mg/kg)   Indian Drugs. Vol. 24, Pg. 545, 1987.