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Substance Name: Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monomethanesulfonate
RN: 125575-09-9
InChIKey: ILQDLMDEBOLSHZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H30-N4-O3.C-H4-O3-S

Molecular Weight

  • 506.6206
 
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Names and Synonyms

  • Benzenecarboximidamide, N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-4-ethoxy-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 125575-09-9

System Generated Number

  • 0125575099

Molecular Formulas

Molecular Formula

  • C23-H30-N4-O3.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C23-H30-N4-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C23H30N4O3.CH4O3S/c1-2-28-20-6-4-19(5-7-20)23(24)25-9-10-26-11-13-27(14-12-26)16-18-3-8-21-22(15-18)30-17-29-21;1-5(2,3)4/h3-8,15H,2,9-14,16-17H2,1H3,(H2,24,25);1H3,(H,2,3,4)

InChIKey

ILQDLMDEBOLSHZ-UHFFFAOYSA-N

Smiles

CCOc1ccc(cc1)C(=N)NCCN2CCN(CC2)Cc3ccc4c(c3)OCO4.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 170mg/kg (170mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 24, Pg. 427, 1989.