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Substance Name: 1H-Isoindole-1,3(2H)-dione, 2-(2-(4-(2-(diphenylmethoxy)ethyl)-1-piperazinyl)ethyl)-, dimethanesulfonate
RN: 116685-89-3
InChIKey: KJPTYKUKCSBFHJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H31-N3-O3.2C-H4-O3-S

Molecular Weight

  • 661.7931
 
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Names and Synonyms

Synonym

  • 1-(2-(Benzhydryloxy)ethyl)-4-(2-(phthalimido)ethyl)piperazine dimethanesulfonate

Systematic Name

  • 1H-Isoindole-1,3(2H)-dione, 2-(2-(4-(2-(diphenylmethoxy)ethyl)-1-piperazinyl)ethyl)-, dimethanesulfonate

Registry Numbers

CAS Registry Number

  • 116685-89-3

System Generated Number

  • 0116685893

Molecular Formulas

Molecular Formula

  • C29-H31-N3-O3.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C29-H31-N3-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C29H31N3O3.2CH4O3S/c33-28-25-13-7-8-14-26(25)29(34)32(28)20-19-30-15-17-31(18-16-30)21-22-35-27(23-9-3-1-4-10-23)24-11-5-2-6-12-24;2*1-5(2,3)4/h1-14,27H,15-22H2;2*1H3,(H,2,3,4)

InChIKey

KJPTYKUKCSBFHJ-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.CS(=O)(=O)O.c1ccc(cc1)C(c2ccccc2)OCCN3CCN(CC3)CCN4C(=O)c5ccccc5C4=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 211mg/kg (211mg/kg)   United States Patent Document. Vol. #4908365,