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Substance Name: 2H-Tetrazolium, 3-(3-chlorophenyl)-5-phenyl-2-((4-phenyl-1-piperazinyl)acetyl)-, chloride
RN: 127739-89-3
InChIKey: NDCBUMWANNLALZ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H24-Cl-N6-O.Cl

Molecular Weight

  • 495.4116
 
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Names and Synonyms

Synonym

  • 3-(3-Chlorophenyl)-5-phenyl-2-((4-phenyl-1-piperazinyl)acetyl)-2H-tetrazolium chloride

Systematic Name

  • 2H-Tetrazolium, 3-(3-chlorophenyl)-5-phenyl-2-((4-phenyl-1-piperazinyl)acetyl)-, chloride

Registry Numbers

CAS Registry Number

  • 127739-89-3

System Generated Number

  • 0127739893

Molecular Formulas

Molecular Formula

  • C25-H24-Cl-N6-O.Cl

Molecular Formula Fragments

  • C25-H24-Cl-N6-O
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C25H24ClN6O.ClH/c26-21-10-7-13-23(18-21)31-27-25(20-8-3-1-4-9-20)28-32(31)24(33)19-29-14-16-30(17-15-29)22-11-5-2-6-12-22;/h1-13,18H,14-17,19H2;1H/q+1;/p-1

InChIKey

NDCBUMWANNLALZ-UHFFFAOYSA-M

Smiles

c1ccc(cc1)c2nn([n+](n2)C(=O)CN3CCN(CC3)c4ccccc4)c5cccc(c5)Cl.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 29, Pg. 91, 1990.