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Substance Name: 1H-Naphth(1,2-d)imidazole, 1-methyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
RN: 110545-39-6
InChIKey: GRPBRESFFJVJFH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H25-F3-N4.C6-H8-O7

Molecular Weight

  • 630.6167
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 110545-39-6

System Generated Number

  • 0110545396

Molecular Formulas

Molecular Formula

  • C25-H25-F3-N4.C6-H8-O7

Molecular Formula Fragments

  • C25-H25-F3-N4
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C25H25F3N4.C6H8O7/c1-30-23(29-22-10-9-18-5-2-3-8-21(18)24(22)30)11-12-31-13-15-32(16-14-31)20-7-4-6-19(17-20)25(26,27)28;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-10,17H,11-16H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

GRPBRESFFJVJFH-UHFFFAOYSA-N

Smiles

Cn1c(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 > 200mg/kg (200mg/kg)   United States Patent Document. Vol. #4594348,
mouse LD50 oral > 500mg/kg (500mg/kg)   United States Patent Document. Vol. #4594348,