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Substance Name: Benzo(3,4)cyclobuta(1,2-b)benzofuran-4(1H)-one, 2,3,4a,9c-tetrahydro-8-hydroxy-6,7,9-trimethyl-
RN: 113561-35-6
InChIKey: HQAFWXJIGCEVHM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H18-O3

Molecular Weight

  • 270.3262
 
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Names and Synonyms

  • Benzo(3,4)cyclobuta(1,2-b)benzofuran-4(1H)-one, 2,3,4a,9c-tetrahydro-8-hydroxy-6,7,9-trimethyl-

Registry Numbers

CAS Registry Number

  • 113561-35-6

System Generated Number

  • 0113561356

Structure Descriptors

InChI

1S/C17H18O3/c1-7-8(2)16-12(9(3)15(7)19)14-10-5-4-6-11(18)13(10)17(14)20-16/h10,13,19H,4-6H2,1-3H3

InChIKey

HQAFWXJIGCEVHM-UHFFFAOYSA-N

Smiles

Cc1c(c2c(c(c1O)C)c3c(o2)C4C3CCCC4=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 855, 1987.