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Substance Name: Piperazine, 1-((5-methyl-1,4-dioxaspiro(5.5)undec-3-yl)methyl)-4-phenyl-, (E)-2-butenedioate
RN: 97306-34-8
InChIKey: CXYBXQBHKCUBKG-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H32-N2-O2.x-C4-H4-O4

Molecular Weight

  • 460.5674
 
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Names and Synonyms

Synonyms

  • 3-(4-Phenyl piperazinyl)methyl 5-methyl 6-cyclohexyl 1,4-dioxanne fumarate
  • 3-(4-Phenyl piperazinyl)methyl 5-methyl 6-cyclohexyl 1,4-dioxanne fumarate [French]

Systematic Name

  • Piperazine, 1-((5-methyl-1,4-dioxaspiro(5.5)undec-3-yl)methyl)-4-phenyl-, (E)-2-butenedioate

Registry Numbers

CAS Registry Number

  • 97306-34-8

System Generated Number

  • 0097306348

Molecular Formulas

Molecular Formula

  • C21-H32-N2-O2.x-C4-H4-O4

Molecular Formula Fragments

  • C21-H32-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H32N2O2.C4H4O4/c1-18-21(10-6-3-7-11-21)24-17-20(25-18)16-22-12-14-23(15-13-22)19-8-4-2-5-9-19;5-3(6)1-2-4(7)8/h2,4-5,8-9,18,20H,3,6-7,10-17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

CXYBXQBHKCUBKG-WLHGVMLRSA-N

Smiles

N1(CCN(CC2OC(C3(OC2)CCCCC3)C)CC1)c1ccccc1.C(=O)(/C=C/C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 100mg/kg (100mg/kg)   French Demande Patent Document. Vol. #2547582,