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Substance Name: 2,5-Cyclohexadiene-1,4-dione, 2-(3-hydroxy-3-methylnonadecyl)-3,5,6-trimethyl-
RN: 113561-37-8
InChIKey: MMRJMBZSARWOAY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H50-O3

Molecular Weight

  • 446.711
 
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Names and Synonyms

Synonyms

  • 2-(3-Hydroxy-3-methylnonadecyl)-3,5,6-trimethyl-2,5-cyclohexadiene-1,4-dione
  • BRN 2016678

Systematic Name

  • 2,5-Cyclohexadiene-1,4-dione, 2-(3-hydroxy-3-methylnonadecyl)-3,5,6-trimethyl-

Registry Numbers

CAS Registry Number

  • 113561-37-8

System Generated Number

  • 0113561378

Structure Descriptors

InChI

1S/C29H50O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-29(5,32)22-20-26-25(4)27(30)23(2)24(3)28(26)31/h32H,6-22H2,1-5H3

InChIKey

MMRJMBZSARWOAY-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCC(C)(CCC1=C(C(=O)C(=C(C1=O)C)C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 5gm/kg (5000mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 855, 1987.