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Substance Name: 1-Hepten-3-ol, 3-(bromoethynyl)-
RN: 100860-63-7
InChIKey: FIDYSNVOHNGRHY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H13-Br-O

Molecular Weight

  • 217.105
 
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Names and Synonyms

Synonyms

  • 3-(Bromoethynyl)-1-hepten-3-ol
  • 4-01-00-02322 (Beilstein Handbook Reference)
  • BRN 1704378

Systematic Name

  • 1-Hepten-3-ol, 3-(bromoethynyl)-

Registry Numbers

CAS Registry Number

  • 100860-63-7

System Generated Number

  • 0100860637

Structure Descriptors

InChI

1S/C9H13BrO/c1-3-5-6-9(11,4-2)7-8-10/h4,11H,2-3,5-6H2,1H3

InChIKey

FIDYSNVOHNGRHY-UHFFFAOYSA-N

Smiles

C([C@@](C#CBr)(C=C)O)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 900mg/kg (900mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 109, Pg. 268, 1953.