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Substance Name: 1-Hexen-3-ol, 5,5-dimethyl-1-(3,4,5-trimethoxyphenyl)-
RN: 66596-50-7
InChIKey: JYBFWKDFGZQINU-BQYQJAHWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H26-O4

Molecular Weight

  • 294.3884
 
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Names and Synonyms

Synonyms

  • 5,5-Dimethyl-1-(3,4,5-trimethoxyphenyl)-1-hexen-3-ol
  • BRN 2282545

Systematic Name

  • 1-Hexen-3-ol, 5,5-dimethyl-1-(3,4,5-trimethoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 66596-50-7

System Generated Number

  • 0066596507

Structure Descriptors

InChI

1S/C17H26O4/c1-17(2,3)11-13(18)8-7-12-9-14(19-4)16(21-6)15(10-12)20-5/h7-10,13,18H,11H2,1-6H3/b8-7+

InChIKey

JYBFWKDFGZQINU-BQYQJAHWSA-N

Smiles

CC(C)(C)CC(/C=C/c1cc(c(c(c1)OC)OC)OC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 41, 1978.