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Substance Name: 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-4-(phenylmethyl)-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-
RN: 102689-18-9
InChIKey: OCLUTEANPSAGSO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H26-N2-O-S

Molecular Weight

  • 378.5374
 
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Names and Synonyms

Synonym

  • BRN 5609365

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102689-18-9

System Generated Number

  • 0102689189

Structure Descriptors

InChI

1S/C23H26N2OS/c1-23(2)16-19(13-14-27-23)25-22(26)20(15-17-9-5-3-6-10-17)21(24-25)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3

InChIKey

OCLUTEANPSAGSO-UHFFFAOYSA-N

Smiles

CC1(CC(CCS1)N2C(=O)C(C(=N2)c3ccccc3)Cc4ccccc4)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.