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Substance Name: PC-796
RN: 21413-28-5
InChIKey: WMIAQXWVZFAYQL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H16-N2-O4-S

Molecular Weight

  • 392.4334
 
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Names and Synonyms

Name of Substance

  • PC-796

Synonyms

  • 5,5-Diphenyl-1-phenylsulfonylhydantoin
  • NSC 288019
  • PC-796

Systematic Names

  • 2,4-Imidazolidinedione, 5,5-diphenyl-1-(phenylsulfonyl)- (9CI)
  • Hydantoin, 5,5-diphenyl-1-(phenylsulfonyl)-

Registry Numbers

CAS Registry Number

  • 21413-28-5

System Generated Number

  • 0021413285

Structure Descriptors

InChI

1S/C21H16N2O4S/c24-19-21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)23(20(25)22-19)28(26,27)18-14-8-3-9-15-18/h1-15H,(H,22,24,25)

InChIKey

WMIAQXWVZFAYQL-UHFFFAOYSA-N

Smiles

O=C1NC(=O)C(N1S(=O)(=O)c2ccccc2)(c3ccccc3)c4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1037mg/kg (1037mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 1579, 1970.
mouse LD50 oral 1700mg/kg (1700mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 1579, 1970.
mouse LDLo subcutaneous > 2gm/kg (2000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 1579, 1970.
rat LD50 intraperitoneal 695mg/kg (695mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 1579, 1970.
rat LD50 oral 1700mg/kg (1700mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 1579, 1970.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.04 (none)   EXP
Atmospheric OH Rate Constant 1.10E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.