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Substance Name: 6-Hepten-4-yn-3-ol, 1-(nonylthio)-2,3,6-trimethyl-
RN: 102244-22-4
InChIKey: VYZBRGJPPSIOLK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H34-O-S

Molecular Weight

  • 310.543
 
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Names and Synonyms

Synonyms

  • 1-(Nonylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol
  • 2,5,6-Trimethyl-7-nonylthiohept-1-en-3-yn-5-ol
  • BRN 5529111

Systematic Name

  • 6-Hepten-4-yn-3-ol, 1-(nonylthio)-2,3,6-trimethyl-

Registry Numbers

CAS Registry Number

  • 102244-22-4

System Generated Number

  • 0102244224

Structure Descriptors

InChI

1S/C19H34OS/c1-6-7-8-9-10-11-12-15-21-16-18(4)19(5,20)14-13-17(2)3/h18,20H,2,6-12,15-16H2,1,3-5H3

InChIKey

VYZBRGJPPSIOLK-UHFFFAOYSA-N

Smiles

C([C@@H]([C@@](C#CC(C)=C)(C)O)C)SCCCCCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 883mg/kg (883mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 89, 1986.