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Substance Name: 2,5-Pyrrolidinedione, 1-(2-(4-(2-(diphenylmethoxy)ethyl)-1-piperazinyl)ethyl)-, dimethanesulfonate
RN: 116712-81-3
InChIKey: NXQDSYQDYLFAFK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H31-N3-O3.2C-H4-O3-S

Molecular Weight

  • 613.7491
 
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Names and Synonyms

Synonym

  • N-(2-(4-Benzhydryloxyethyl-1-piperazinyl)ethyl)-2,5-pyrrolidinedione dimethanesulfonate

Systematic Name

  • 2,5-Pyrrolidinedione, 1-(2-(4-(2-(diphenylmethoxy)ethyl)-1-piperazinyl)ethyl)-, dimethanesulfonate

Registry Numbers

CAS Registry Number

  • 116712-81-3

System Generated Number

  • 0116712813

Molecular Formulas

Molecular Formula

  • C25-H31-N3-O3.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C25-H31-N3-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C25H31N3O3.2CH4O3S/c29-23-11-12-24(30)28(23)18-17-26-13-15-27(16-14-26)19-20-31-25(21-7-3-1-4-8-21)22-9-5-2-6-10-22;2*1-5(2,3)4/h1-10,25H,11-20H2;2*1H3,(H,2,3,4)

InChIKey

NXQDSYQDYLFAFK-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.CS(=O)(=O)O.c1ccc(cc1)C(c2ccccc2)OCCN3CCN(CC3)CCN4C(=O)CCC4=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 146mg/kg (146mg/kg)   United States Patent Document. Vol. #4908365,