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Substance Name: 1,3-Benzodioxole-5-methanamine, N,N-bis(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
RN: 55436-80-1
InChIKey: NKSZMECNQMOMPQ-DAFCHSSWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H57-N-O2

Molecular Weight

  • 559.8733
 
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Names and Synonyms

Synonyms

  • BRN 1443715
  • N,N-Bis(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1,3-benzodioxol-5-methanamine

Systematic Name

  • 1,3-Benzodioxole-5-methanamine, N,N-bis(3,7,11-trimethyl-2,6,10-dodecatrienyl)-

Registry Numbers

CAS Registry Number

  • 55436-80-1

System Generated Number

  • 0055436801

Structure Descriptors

InChI

1S/C38H57NO2/c1-30(2)13-9-15-32(5)17-11-19-34(7)23-25-39(28-36-21-22-37-38(27-36)41-29-40-37)26-24-35(8)20-12-18-33(6)16-10-14-31(3)4/h13-14,17-18,21-24,27H,9-12,15-16,19-20,25-26,28-29H2,1-8H3/b32-17+,33-18+,34-23+,35-24+

InChIKey

NKSZMECNQMOMPQ-DAFCHSSWSA-N

Smiles

CC(=CCC/C(=C/CC/C(=C/CN(Cc1cc2c(cc1)OCO2)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)C

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.