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Substance Name: Benzo(3,4)cyclohepta(1,2-b)pyran-3(2H)-one, 1,5,6,7-tetrahydro-9,10,11-trimethoxy-
RN: 49562-03-0
InChIKey: XEBCPYUMEHLNGG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H20-O5

Molecular Weight

  • 304.34
 
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Names and Synonyms

Synonyms

  • 1,5,6,7-Tetrahydro-9,10,11-trimethoxybenzo(3,4)cyclohepta(1,2-b)pyran-3(2H)-one
  • beta-(5-(6-Hydroxy-2,3,4-trimethoxybenzocyclohepten-5-yl))propionic acid delta-lactone
  • BRN 1262869

Systematic Name

  • Benzo(3,4)cyclohepta(1,2-b)pyran-3(2H)-one, 1,5,6,7-tetrahydro-9,10,11-trimethoxy-

Registry Numbers

CAS Registry Number

  • 49562-03-0

System Generated Number

  • 0049562030

Structure Descriptors

InChI

1S/C17H20O5/c1-19-13-9-10-5-4-6-12-11(7-8-14(18)22-12)15(10)17(21-3)16(13)20-2/h9H,4-8H2,1-3H3

InChIKey

XEBCPYUMEHLNGG-UHFFFAOYSA-N

Smiles

C12=C(CCC(O1)=O)c1c(CCC2)cc(c(c1OC)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1394, 1973.