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Substance Name: 1,2-Benzenediol, 3-(8-pentadecenyl)-
RN: 2764-91-2
InChIKey: GWOCLAPCXDOJRL-BQYQJAHWSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C21-H34-O2

Molecular Weight

  • 318.498
 
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Names and Synonyms

Synonyms

  • 3-(8-Pentadecenyl)-1,2-benzenediol
  • Bhilawanol A

Systematic Name

  • 1,2-Benzenediol, 3-(8-pentadecenyl)-

Registry Numbers

CAS Registry Number

  • 2764-91-2

System Generated Number

  • 0002764912

Structure Descriptors

InChI

1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h7-8,15,17-18,22-23H,2-6,9-14,16H2,1H3/b8-7+

InChIKey

GWOCLAPCXDOJRL-BQYQJAHWSA-N

Smiles

c1ccc(c(O)c1O)CCCCCCC\C=C\CCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 156mg/kg (156mg/kg)   Indian Journal of Pharmaceutical Sciences. Vol. 50, Pg. 130, 1988.