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Substance Name: 6-Hepten-4-yn-3-ol, 1-(butylthio)-2,3,6-trimethyl-
RN: 77922-39-5
InChIKey: YCHNNCYXLMFMCR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H24-O-S

Molecular Weight

  • 240.409
 
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Names and Synonyms

Synonyms

  • 1-(Butylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol
  • 2,5,6-Trimethyl-7-butylthiohept-1-en-3-yn-5-ol
  • BRN 4392057

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 77922-39-5

System Generated Number

  • 0077922395

Structure Descriptors

InChI

1S/C14H24OS/c1-6-7-10-16-11-13(4)14(5,15)9-8-12(2)3/h13,15H,2,6-7,10-11H2,1,3-5H3

InChIKey

YCHNNCYXLMFMCR-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 508mg/kg (508mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 89, 1986.