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Substance Name: 1H-Naphth(1,2-d)imidazole, 2-(2-(4-(3-methoxyphenyl)-1-piperazinyl)ethyl)-1-(1-methyethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
RN: 80429-41-0
InChIKey: AOIDFQGVFYCCME-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H32-N4-O.C6-H8-O7

Molecular Weight

  • 620.699
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 80429-41-0

System Generated Number

  • 0080429410

Molecular Formulas

Molecular Formula

  • C27-H32-N4-O.C6-H8-O7

Molecular Formula Fragments

  • C27-H32-N4-O
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C27H32N4O.C6H8O7/c1-20(2)31-26(28-25-12-11-21-7-4-5-10-24(21)27(25)31)13-14-29-15-17-30(18-16-29)22-8-6-9-23(19-22)32-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-12,19-20H,13-18H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

AOIDFQGVFYCCME-UHFFFAOYSA-N

Smiles

CC(C)n1c(nc2c1c3ccccc3cc2)CCN4CCN(CC4)c5cccc(c5)OC.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,