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Substance Name: 6-Hepten-4-yn-3-ol, 1-(ethylthio)-2,3,6-trimethyl-
RN: 77922-37-3
InChIKey: WOYHVBXSYNCYJD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H20-O-S

Molecular Weight

  • 212.355
 
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Names and Synonyms

Synonyms

  • 1-(Ethylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol
  • 2,5,6-Trimethyl-7-ethylthiohept-1-en-3-yn-5-ol
  • BRN 4383208

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 77922-37-3

System Generated Number

  • 0077922373

Structure Descriptors

InChI

1S/C12H20OS/c1-6-14-9-11(4)12(5,13)8-7-10(2)3/h11,13H,2,6,9H2,1,3-5H3

InChIKey

WOYHVBXSYNCYJD-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 425mg/kg (425mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 89, 1986.