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Substance Name: 4H-Pyran-4-one, 3-hydroxy-2-isobutyl-
RN: 76015-10-6
InChIKey: BYAVMBAAZQAOHB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H12-O3

Molecular Weight

  • 168.1908
 
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Names and Synonyms

Synonyms

  • 3-Hydroxy-2-isobutyl-4H-pyran-4-one
  • BRN 5504693

Systematic Name

  • 4H-Pyran-4-one, 3-hydroxy-2-isobutyl-

Registry Numbers

CAS Registry Number

  • 76015-10-6

System Generated Number

  • 0076015106

Structure Descriptors

InChI

1S/C9H12O3/c1-6(2)5-8-9(11)7(10)3-4-12-8/h3-4,6,11H,5H2,1-2H3

InChIKey

BYAVMBAAZQAOHB-UHFFFAOYSA-N

Smiles

CC(C)Cc1c(c(=O)cco1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 1630mg/kg (1630mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 28, Pg. 2570, 1980.