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Substance Name: Piperazine, 2-(alpha-(o-tert-butylphenyl)benzyloxymethyl)-1,4-dimethyl-, dioxalate
RN: 10140-06-4
InChIKey: XYMGAGQEUCUHBC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H34-N2-O.2C2-H2-O4

Molecular Weight

  • 546.613
 
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Names and Synonyms

Synonym

  • 2-(alpha-(o-tert-Butylphenyl)benzyloxymethyl)-1,4-dimethylpiperazine dioxalate

Systematic Name

  • Piperazine, 2-(alpha-(o-tert-butylphenyl)benzyloxymethyl)-1,4-dimethyl-, dioxalate

Registry Numbers

CAS Registry Number

  • 10140-06-4

System Generated Number

  • 0010140064

Molecular Formulas

Molecular Formula

  • C24-H34-N2-O.2C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C24-H34-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C24H34N2O.2C2H2O4/c1-24(2,3)22-14-10-9-13-21(22)23(19-11-7-6-8-12-19)27-18-20-17-25(4)15-16-26(20)5;2*3-1(4)2(5)6/h6-14,20,23H,15-18H2,1-5H3;2*(H,3,4)(H,5,6)

InChIKey

XYMGAGQEUCUHBC-UHFFFAOYSA-N

Smiles

C(C(=O)O)(=O)O.C1[C@@H]([N@@](CC[N@@]1C)C)CO[C@@H](c1ccccc1)c1c(cccc1)C(C)(C)C.C(C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 165mg/kg (165mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 1557, 1966.
mouse LD50 subcutaneous 600mg/kg (600mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 1557, 1966.