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Substance Name: 1H-Naphth(1,2-d)imidazole, 1-(1-methylethyl)-2-(2-(4-phenyl-1-piperazinyl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
RN: 110567-32-3
InChIKey: XYPKRMVAKKQWPB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H30-N4

Molecular Weight

  • 590.6732
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 110567-32-3

System Generated Number

  • 0110567323

Structure Descriptors

InChI

1S/C26H30N4.C6H8O7/c1-20(2)30-25(27-24-13-12-21-8-6-7-11-23(21)26(24)30)14-15-28-16-18-29(19-17-28)22-9-4-3-5-10-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-13,20H,14-19H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

XYPKRMVAKKQWPB-UHFFFAOYSA-N

Smiles

CC(C)n1c(nc2c1c3ccccc3cc2)CCN4CCN(CC4)c5ccccc5.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,