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Substance Name: 1H-Naphth(1,2-d)imidazole, 1-(1-methylethyl)-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
RN: 80429-43-2
InChIKey: IZIZXTXVKPPJEF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H29-F3-N4.C6-H8-O7

Molecular Weight

  • 658.6703
 
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Names and Synonyms

  • 1H-Naphth(1,2-d)imidazole, 1-(1-methylethyl)-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Registry Numbers

CAS Registry Number

  • 80429-43-2

System Generated Number

  • 0080429432

Molecular Formulas

Molecular Formula

  • C27-H29-F3-N4.C6-H8-O7

Molecular Formula Fragments

  • C27-H29-F3-N4
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C27H29F3N4.C6H8O7/c1-19(2)34-25(31-24-11-10-20-6-3-4-9-23(20)26(24)34)12-13-32-14-16-33(17-15-32)22-8-5-7-21(18-22)27(28,29)30;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11,18-19H,12-17H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

IZIZXTXVKPPJEF-UHFFFAOYSA-N

Smiles

CC(C)n1c(nc2c1c3ccccc3cc2)CCN4CCN(CC4)c5cccc(c5)C(F)(F)F.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   United States Patent Document. Vol. #4594348,
mouse LD50 oral 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4594348,