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Substance Name: 6-Hepten-4-yn-3-ol, 1-((3-methylbutyl)thio)-2,3,6-trimethyl-
RN: 102244-18-8
InChIKey: XRBMDVUHHPMDEZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H26-O-S

Molecular Weight

  • 254.435
 
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Names and Synonyms

Synonyms

  • 1-((3-Methylbutyl)thio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol
  • 2,5,6-Trimethyl-7-isopentylthiohept-1-en-3-yn-5-ol
  • BRN 5511702

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102244-18-8

System Generated Number

  • 0102244188

Structure Descriptors

InChI

1S/C15H26OS/c1-12(2)7-9-15(6,16)14(5)11-17-10-8-13(3)4/h13-14,16H,1,8,10-11H2,2-6H3

InChIKey

XRBMDVUHHPMDEZ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 550mg/kg (550mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 89, 1986.