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Substance Name: 6-Hepten-4-yn-3-ol, 1-(octylthio)-2,3,6-trimethyl-
RN: 102244-21-3
InChIKey: ODMXGWKISBQVMI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H32-O-S

Molecular Weight

  • 296.516
 
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Names and Synonyms

Synonyms

  • 1-(Octylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol
  • 2,5,6-Trimethyl-7-octylthiohept-1-en-3-yn-5-ol
  • BRN 5522564

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102244-21-3

System Generated Number

  • 0102244213

Structure Descriptors

InChI

1S/C18H32OS/c1-6-7-8-9-10-11-14-20-15-17(4)18(5,19)13-12-16(2)3/h17,19H,2,6-11,14-15H2,1,3-5H3

InChIKey

ODMXGWKISBQVMI-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 733mg/kg (733mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 89, 1986.