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Substance Name: Benzamide, N-(2-(4-(2-(diphenylmethoxy)ethyl)-1-piperazinyl)ethyl)-2-nitro-, dimethanesulfonate
RN: 116713-34-9
InChIKey: PACCREOFJSABJE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H32-N4-O4.2C-H4-O3-S

Molecular Weight

  • 680.796
 
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Names and Synonyms

  • Benzamide, N-(2-(4-(2-(diphenylmethoxy)ethyl)-1-piperazinyl)ethyl)-2-nitro-, dimethanesulfonate

Registry Numbers

CAS Registry Number

  • 116713-34-9

System Generated Number

  • 0116713349

Molecular Formulas

Molecular Formula

  • C28-H32-N4-O4.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C28-H32-N4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C28H32N4O4.2CH4O3S/c33-28(25-13-7-8-14-26(25)32(34)35)29-15-16-30-17-19-31(20-18-30)21-22-36-27(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,(H,29,33);2*1H3,(H,2,3,4)

InChIKey

PACCREOFJSABJE-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.CS(=O)(=O)O.c1ccc(cc1)C(c2ccccc2)OCCN3CCN(CC3)CCNC(=O)c4ccccc4[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 131mg/kg (131mg/kg)   United States Patent Document. Vol. #4908365,