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Substance Name: 6-Hepten-4-yn-3-ol, 1-(hexylthio)-2,3,6-trimethyl-
RN: 102244-19-9
InChIKey: XPQWRZYCFSFHSO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H28-O-S

Molecular Weight

  • 268.462
 
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Names and Synonyms

Synonyms

  • 1-(Hexylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol
  • 2,5,6-Trimethyl-7-hexylthiohept-1-en-3-yn-5-ol
  • BRN 5514757

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102244-19-9

System Generated Number

  • 0102244199

Structure Descriptors

InChI

1S/C16H28OS/c1-6-7-8-9-12-18-13-15(4)16(5,17)11-10-14(2)3/h15,17H,2,6-9,12-13H2,1,3-5H3

InChIKey

XPQWRZYCFSFHSO-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 567mg/kg (567mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 89, 1986.