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Substance Name: Benzylamine, N-isobutyl-3,4-methylenedioxy-N-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
RN: 66903-19-3
InChIKey: MEMSGJUSKNEJGP-PNHPFKHWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H41-N-O2

Molecular Weight

  • 411.626
 
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Names and Synonyms

Synonyms

  • BRN 1440728
  • N-Farnesyl-N-isobutyl-3,4-methylenedioxybenzylamine
  • N-Isobutyl-3,4-methylenedioxy-N-(3,7,11-trimethyl-2,6,10-dodecyltrienyl)benzylamine

Systematic Name

  • Benzylamine, N-isobutyl-3,4-methylenedioxy-N-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-

Registry Numbers

CAS Registry Number

  • 66903-19-3

System Generated Number

  • 0066903193

Structure Descriptors

InChI

1S/C27H41NO2/c1-21(2)9-7-10-23(5)11-8-12-24(6)15-16-28(18-22(3)4)19-25-13-14-26-27(17-25)30-20-29-26/h9,11,13-15,17,22H,7-8,10,12,16,18-20H2,1-6H3/b23-11+,24-15+

InChIKey

MEMSGJUSKNEJGP-PNHPFKHWSA-N

Smiles

c12c(ccc(c1)C[N@@](C\C=C(\CC\C=C(\CC\C=C(\C)C)C)C)CC(C)C)OCO2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 555, 1974.