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Substance Name: 1(3H)-Isobenzofuranone, 3-((2-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)phenyl)amino)-
RN: 90494-52-3
InChIKey: DCUWYKQMRQDZIR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H29-N3-O3

Molecular Weight

  • 443.5441
 
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Names and Synonyms

Synonyms

  • (((Methoxy-2 phenyl)-4 piperazinylethyl)-2 anilino)-3 isobenzofurannone
  • (((Methoxy-2 phenyl)-4 piperazinylethyl)-2 anilino)-3 isobenzofurannone [French]
  • 3-((2-(2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)phenyl)amino)-1(3H)-isobenzofuranone
  • COR 3441

Systematic Name

  • 1(3H)-Isobenzofuranone, 3-((2-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)phenyl)amino)-

Registry Numbers

CAS Registry Number

  • 90494-52-3

System Generated Number

  • 0090494523

Structure Descriptors

InChI

1S/C27H29N3O3/c1-32-25-13-7-6-12-24(25)30-18-16-29(17-19-30)15-14-20-8-2-5-11-23(20)28-26-21-9-3-4-10-22(21)27(31)33-26/h2-13,26,28H,14-19H2,1H3

InChIKey

DCUWYKQMRQDZIR-UHFFFAOYSA-N

Smiles

COc1ccccc1N2CCN(CC2)CCc3ccccc3NC4c5ccccc5C(=O)O4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 873mg/kg (873mg/kg)   European Patent Application. Vol. #0100745,
mouse LDLo oral 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #0100745,