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Substance Name: 2,4-Benzofurandione, hexahydro-3a-methyl-6-(1-methylethyl)-, (3aR-(3a-alpha,6-alpha,7a-alpha))-
RN: 88580-85-2
InChIKey: XSWFLOYZQXCBKI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-O3

Molecular Weight

  • 210.271
 
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Names and Synonyms

Synonyms

  • 2-(1(R)-Methyl-2-oxo-4(R)-isopropyl-6(R)-hydroxycyclohexyl)acetic acid-gamma-lactone
  • Benzofuran-2,4(3H,5H)-dione, tetrahydro-3a-methyl-6-(1-methylethyl)-, (3ar,6R)-

Systematic Name

  • 2,4-Benzofurandione, hexahydro-3a-methyl-6-(1-methylethyl)-, (3aR-(3a-alpha,6-alpha,7a-alpha))-

Registry Numbers

CAS Registry Number

  • 88580-85-2

System Generated Number

  • 0088580852

Structure Descriptors

InChI

1S/C12H18O3/c1-7(2)8-4-9(13)12(3)6-11(14)15-10(12)5-8/h7-8,10H,4-6H2,1-3H3

InChIKey

XSWFLOYZQXCBKI-UHFFFAOYSA-N

Smiles

C1([C@@]2([C@@H](C[C@@H](C(C)C)C1)OC(C2)=O)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo unreported 100mg/kg (100mg/kg)   Journal of Pharmaceutical Sciences. Vol. 72, Pg. 1131, 1983.