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Substance Name: Dichloralphenazone [USP:INN:BAN]
RN: 480-30-8
UNII: YYX637R279
InChIKey: ATKXDQOHNICLQW-UHFFFAOYSA-N

Note

  • 1:2 compound of antipyrine with chloral hydrate.

Classification Code

  • Sedative-Hypnotic

Molecular Formula

  • C11-H12-N2-O.2C2-H3-Cl3-O2

Molecular Weight

  • 519.034
 
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Names and Synonyms

Name of Substance

  • Dichloralantipyrine
  • Dichloralphenazone [USP:INN:BAN]

Synonyms

  • Antipyrine, compound with chloral hydrate (1:2)
  • Dichloralantipyrin
  • Dichloralantipyrine
  • Dichloralphenazone
  • Dormuphar
  • EINECS 207-546-0
  • Ibiodorm
  • Kloralfenazon
  • Sedor
  • Sominat
  • UNII-YYX637R279
  • Welldorm

Systematic Names

  • 1,2-Dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one, compd. with 2,2,2-trichloro-1,1-ethanediol (1:2)
  • 1,2-Dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one, compound with 2,2,2-trichloroethane-1,1-diol (1:2)
  • 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, compd. with 2,2,2-trichloro-1,1-ethanediol (1:2)
  • Antipyrine, compd. with chloral hydrate (1:2)

Superlist Names

  • DEA No. 2467
  • Dichloralphenazone

Registry Numbers

CAS Registry Number

  • 480-30-8

FDA UNII

  • YYX637R279

System Generated Number

  • 0000480308

Molecular Formulas

Molecular Formula

  • C11-H12-N2-O.2C2-H3-Cl3-O2

Molecular Formula Fragments

  • C11-H12-N2-O
  • C2-H3-Cl3-O2
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C11H12N2O.2C2H3Cl3O2/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;2*3-2(4,5)1(6)7/h3-8H,1-2H3;2*1,6-7H

InChIKey

ATKXDQOHNICLQW-UHFFFAOYSA-N

Smiles

CN1N(C(=O)C=C1C)c2ccccc2.OC(O)C(Cl)(Cl)Cl.OC(O)C(Cl)(Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 982mg/kg (982mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 45, Pg. 137, 1956.
mouse LD50 oral 1437mg/kg (1437mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 45, Pg. 137, 1956.
rat LD50 oral 1338mg/kg (1338mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 45, Pg. 137, 1956.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 68 deg C   EXP
log P (octanol-water) 0.590 (none)   EST
Atmospheric OH Rate Constant 3.21E-11 cm3/molecule-sec 25 EST

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