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Substance Name: 1H-Isoindole-1,3(2H)-dione, 2-(4-(4-(2-(diphenylmethoxy)ethyl)-1-piperazinyl)butyl)-, dimethanesulfonate
RN: 116738-09-1
InChIKey: UZXQADWXZLMWIG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H35-N3-O3.2C-H4-O3-S

Molecular Weight

  • 689.8467
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 116738-09-1

System Generated Number

  • 0116738091

Molecular Formulas

Molecular Formula

  • C31-H35-N3-O3.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C31-H35-N3-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C31H35N3O3.2CH4O3S/c35-30-27-15-7-8-16-28(27)31(36)34(30)18-10-9-17-32-19-21-33(22-20-32)23-24-37-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26;2*1-5(2,3)4/h1-8,11-16,29H,9-10,17-24H2;2*1H3,(H,2,3,4)

InChIKey

UZXQADWXZLMWIG-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.CS(=O)(=O)O.c1ccc(cc1)C(c2ccccc2)OCCN3CCN(CC3)CCCCN4C(=O)c5ccccc5C4=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 133mg/kg (133mg/kg)   United States Patent Document. Vol. #4908365,