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Substance Name: 4H-Pyran-4-one, 3-hydroxy-2-(1-hydroxy-2-methylpropyl)
RN: 4940-13-0
InChIKey: LEHJPVXVDQTGBS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H12-O4

Molecular Weight

  • 184.1898
 
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Names and Synonyms

Synonym

  • 3-Hydroxy-2-(1-hydroxy-2-methylpropyl)-4H-pyran-4-one

Systematic Name

  • 4H-Pyran-4-one, 3-hydroxy-2-(1-hydroxy-2-methylpropyl)

Registry Numbers

CAS Registry Number

  • 4940-13-0

System Generated Number

  • 0004940130

Structure Descriptors

InChI

1S/C9H12O4/c1-5(2)7(11)9-8(12)6(10)3-4-13-9/h3-5,7,11-12H,1-2H3

InChIKey

LEHJPVXVDQTGBS-UHFFFAOYSA-N

Smiles

CC(C)C(O)C1=C(O)C(=O)C=CO1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 1510mg/kg (1510mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 28, Pg. 2570, 1980.