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Substance Name: 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-
RN: 102689-15-6
InChIKey: DNKYSMUELKMFQG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H20-N2-O2

Molecular Weight

  • 272.346
 
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Names and Synonyms

Synonyms

  • 2,4-Dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-3H-pyrazol-3-one
  • BRN 5553788

Systematic Name

  • 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-

Registry Numbers

CAS Registry Number

  • 102689-15-6

System Generated Number

  • 0102689156

Structure Descriptors

InChI

1S/C16H20N2O2/c1-16(2)11-13(8-9-20-16)18-15(19)10-14(17-18)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3

InChIKey

DNKYSMUELKMFQG-UHFFFAOYSA-N

Smiles

N=1N(C(CC1c1ccccc1)=O)[C@@H]1CC(OCC1)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD unreported > 450mg/kg (450mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 470, 1985.