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Substance Name: 1H-Pyrazole-1-carboxaldehyde, 4,5-dihydro-3-(4-oxo-2-phenyl-4H-1-benzopyran-6-yl)-5-phenyl-
RN: 154185-80-5
InChIKey: KCQKLKIYFMHMHO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H18-N2-O3

Molecular Weight

  • 394.4282
 
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Names and Synonyms

Synonym

  • 3-(4-Oxo-2-phenyl-4H-1-benzopyran-6-yl)-5-phenyl-4,5-Dihydro-1H-pyrazole-1-carboxaldehyde

Systematic Name

  • 1H-Pyrazole-1-carboxaldehyde, 4,5-dihydro-3-(4-oxo-2-phenyl-4H-1-benzopyran-6-yl)-5-phenyl-

Registry Numbers

CAS Registry Number

  • 154185-80-5

System Generated Number

  • 0154185805

Structure Descriptors

InChI

1S/C25H18N2O3/c28-16-27-22(17-7-3-1-4-8-17)14-21(26-27)19-11-12-24-20(13-19)23(29)15-25(30-24)18-9-5-2-6-10-18/h1-13,15-16,22H,14H2

InChIKey

KCQKLKIYFMHMHO-UHFFFAOYSA-N

Smiles

O=CN1N=C(CC1c2ccccc2)c3ccc4OC(=CC(=O)c4c3)c5ccccc5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 681mg/kg (681mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 32, Pg. 1241, 1993.