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Substance Name: 1,2-Benzenediol, 3-(1-hydroxypentadecyl)-
RN: 16825-45-9
InChIKey: MFWYWXSFQFKJCL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H36-O3

Molecular Weight

  • 336.512
 
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Names and Synonyms

Synonyms

  • 1-(2,3-Dihydroxyphenyl)-1-pentadecanol
  • 3-(1'-Hydroxypentadecyl)catechol
  • 3-(1-Hydroxypentadecyl)-1,2-benzenediol
  • 4-06-00-07446 (Beilstein Handbook Reference)
  • BRN 2468186

Systematic Names

  • 1,2-Benzenediol, 3-(1-hydroxypentadecyl)-
  • 1-Pentadecanol, 1-(2,3-dihydroxyphenyl)- (8CI)

Registry Numbers

CAS Registry Number

  • 16825-45-9

System Generated Number

  • 0016825459

Structure Descriptors

InChI

1S/C21H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19(22)18-15-14-17-20(23)21(18)24/h14-15,17,19,22-24H,2-13,16H2,1H3

InChIKey

MFWYWXSFQFKJCL-UHFFFAOYSA-N

Smiles

c1(c(c(ccc1)[C@@H](CCCCCCCCCCCCCC)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 393mg/kg (393mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #91-74324,