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Substance Name: 6-Hepten-4-yn-3-ol, 1-(decylthio)-2,3,6-trimethyl-
RN: 102244-23-5
InChIKey: HBTWZHREWLKKRH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H36-O-S

Molecular Weight

  • 324.569
 
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Names and Synonyms

Synonyms

  • 1-(Decylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol
  • 2,5,6-Trimethyl-7-decylthiohept-1-en-3-yn-5-ol
  • BRN 5532521

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102244-23-5

System Generated Number

  • 0102244235

Structure Descriptors

InChI

1S/C20H36OS/c1-6-7-8-9-10-11-12-13-16-22-17-19(4)20(5,21)15-14-18(2)3/h19,21H,2,6-13,16-17H2,1,3-5H3

InChIKey

HBTWZHREWLKKRH-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 900mg/kg (900mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 89, 1986.