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Substance Name: 2(3H)-Benzofuranone, hexahydro-4-hydroxy-3a-methyl-6-(1-methylethyl)-, (3aS-(3a-alpha,4-alpha,6-alpha,7a-alpha))-
RN: 88580-87-4
InChIKey: SCZBYGMMBLTJQG-CABZTGNLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H20-O3

Molecular Weight

  • 208.2554
 
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Names and Synonyms

Synonym

  • 2-(1(S)-Methyl-2(R)-hydroxy-4(S)-isopropyl-6(R)-hydroxycyclohexyl)acetic acid-gamma-lactone

Systematic Name

  • 2(3H)-Benzofuranone, hexahydro-4-hydroxy-3a-methyl-6-(1-methylethyl)-, (3aS-(3a-alpha,4-alpha,6-alpha,7a-alpha))-

Registry Numbers

CAS Registry Number

  • 88580-87-4

System Generated Number

  • 0088580874

Structure Descriptors

InChI

1S/C12H16O3/c1-7(2)8-4-9(13)12(3)6-11(14)15-10(12)5-8/h4-5,7,9,13H,6H2,1-3H3/t9-,12-/m0/s1

InChIKey

SCZBYGMMBLTJQG-CABZTGNLSA-N

Smiles

C12=CC(=C[C@@H]([C@@]1(CC(=O)O2)C)O)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD unreported > 200mg/kg (200mg/kg)   Journal of Pharmaceutical Sciences. Vol. 72, Pg. 1131, 1983.