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Substance Name: 6-Hepten-4-yn-3-ol, 1-(heptylthio)-2,3,6-trimethyl-
RN: 102244-20-2
InChIKey: VOAMBOADIPKEHO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H30-O-S

Molecular Weight

  • 282.489
 
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Names and Synonyms

Synonyms

  • 1-(Heptylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol
  • 2,5,6-Trimethyl-7-heptylthiohept-1-en-3-yn-5-ol
  • BRN 5519977

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102244-20-2

System Generated Number

  • 0102244202

Structure Descriptors

InChI

1S/C17H30OS/c1-6-7-8-9-10-13-19-14-16(4)17(5,18)12-11-15(2)3/h16,18H,2,6-10,13-14H2,1,3-5H3

InChIKey

VOAMBOADIPKEHO-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 659mg/kg (659mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 89, 1986.