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Substance Name: 1-Oxaspiro(4.5)dec-3-en-2-one, 4-((4-bromophenyl)hydroxymethyl)-3-methyl-
RN: 86560-18-1
InChIKey: JUQGHCALPJHCNK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H19-Br-O3

Molecular Weight

  • 351.2381
 
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Names and Synonyms

Synonyms

  • 4-((4-Bromophenyl)hydroxymethyl)-3-methyl-1-oxaspiro(4.5)dec-3-en-2-one
  • 4-Bromohydroxybenzyl-3 methyl-2 cyclohexane spiro-4,4-butene-2 olide-4
  • 4-Bromohydroxybenzyl-3 methyl-2 cyclohexane spiro-4,4-butene-2 olide-4 [French]
  • BRN 5090888

Systematic Name

  • 1-Oxaspiro(4.5)dec-3-en-2-one, 4-((4-bromophenyl)hydroxymethyl)-3-methyl-

Registry Numbers

CAS Registry Number

  • 86560-18-1

System Generated Number

  • 0086560181

Structure Descriptors

InChI

1S/C17H19BrO3/c1-11-14(15(19)12-5-7-13(18)8-6-12)17(21-16(11)20)9-3-2-4-10-17/h5-8,15,19H,2-4,9-10H2,1H3

InChIKey

JUQGHCALPJHCNK-UHFFFAOYSA-N

Smiles

CC1=C(C2(CCCCC2)OC1=O)C(c3ccc(cc3)Br)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2gm/kg (2000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 18, Pg. 147, 1983.