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Substance Name: 2H-Pyran-2-one, tetrahydro-4-(4-chlorophenyl)-6-methyl-3-phenyl-, (3-alpha,4-alpha,6-alpha)-
RN: 75115-82-1
InChIKey: QSAFSJAOPPHPTK-AFAVFJNCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-Cl-O2

Molecular Weight

  • 300.7833
 
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Names and Synonyms

Synonyms

  • (3-alpha,4-alpha,6-alpha)-Tetrahydro-4-(4-chlorophenyl)-6-methyl-3-phenyl-2H-pyran-2-one
  • Chloro-4' phenyl-4 methyl-6 phenyl-3 tetrahydro-3,4,5,6 pyrone-2 (3R*,4R*,6R*)
  • Chloro-4' phenyl-4 methyl-6 phenyl-3 tetrahydro-3,4,5,6 pyrone-2 (3R*,4R*,6R*) [French]

Systematic Name

  • 2H-Pyran-2-one, tetrahydro-4-(4-chlorophenyl)-6-methyl-3-phenyl-, (3-alpha,4-alpha,6-alpha)-

Registry Numbers

CAS Registry Number

  • 75115-82-1

System Generated Number

  • 0075115821

Structure Descriptors

InChI

1S/C18H17ClO2/c1-12-11-16(13-7-9-15(19)10-8-13)17(18(20)21-12)14-5-3-2-4-6-14/h2-10,12,16-17H,11H2,1H3/t12-,16-,17+/m0/s1

InChIKey

QSAFSJAOPPHPTK-AFAVFJNCSA-N

Smiles

C[C@H]1C[C@H]([C@H](C(=O)O1)c2ccccc2)c3ccc(cc3)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 256mg/kg (256mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 16, Pg. 431, 1981.