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Substance Name: Phenol, m-(1-allyl-2-methyl-3-propyl-3-piperidyl)-, oxalate (1:1)
RN: 69782-47-4
InChIKey: BJEAOJBULAXHQA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H27-N-O.C2-H2-O4

Molecular Weight

  • 363.4511
 
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Names and Synonyms

Synonyms

  • 3-(3-(1-Allyl-2-methyl-3-propyl)piperidyl)phenol oxalate
  • N-Allyl-3-(m-hydroxyphenyl)-2-methyl-3-propylpiperidine oxalate
  • Piperidine, N-allyl-3-(m-hydroxyphenyl)-2-methyl-3-propyl-, oxalate

Systematic Name

  • Phenol, m-(1-allyl-2-methyl-3-propyl-3-piperidyl)-, oxalate (1:1)

Registry Numbers

CAS Registry Number

  • 69782-47-4

System Generated Number

  • 0069782474

Molecular Formulas

Molecular Formula

  • C18-H27-N-O.C2-H2-O4

Molecular Formula Fragments

  • C18-H27-N-O
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H27NO.C2H2O4/c1-4-10-18(16-8-6-9-17(20)14-16)11-7-13-19(12-5-2)15(18)3;3-1(4)2(5)6/h5-6,8-9,14-15,20H,2,4,7,10-13H2,1,3H3;(H,3,4)(H,5,6)

InChIKey

BJEAOJBULAXHQA-UHFFFAOYSA-N

Smiles

CCCC1(CCCN(C1C)CC=C)c2cccc(c2)O.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 268mg/kg (268mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 313, 1965.