Dichloralphenazone
Basic information
- CAS
480-30-8- Standard SMILES
Cc1cc(=O)n(-c2ccccc2)n1C.OC(O)C(Cl)(Cl)Cl.OC(O)C(Cl)(Cl)Cl- InChIKey
ATKXDQOHNICLQW-UHFFFAOYSA-N- Molecular formula
- C15H18Cl6N2O5
- Average molar mass
- 519 g/mol
- Monoisotopic mass
- 515.934688
Overview
Dichloralphenazone is a DEA Schedule IV controlled substance. Substances in the DEA Schedule IV have a low potential for abuse relative to substances in Schedule III. It is a Depressants substance.
Names & identifiers
- Preferred name
- Dichloralphenazone
- IUPAC
- 1,5-dimethyl-2-phenylpyrazol-3-one;bis(2,2,2-trichloroethane-1,1-diol)
- English name
- DICHLORALPHENAZONE
- Molecular formula
- C15H18Cl6N2O5
- Molecular weight
- 519.03
Names & synonyms
DichloralphenazoneDichloralantipyrine480-30-8Dichloralphenazone civAntipyrine, compound with chloral hydrate (1:2)DTXSID2022919YYX637R2791,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one; bis(2,2,2-trichloroethane-1,1-diol)RefChem:586642DTXCID9029191,5-dimethyl-2-phenylpyrazol-3-one;2,2,2-trichloroethane-1,1-diol1,2-Dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one, compound with 2,2,2-trichloroethane-1,1-diol (1:2)
Show more names
DichlorobenadoneDichloralPhenazoneBp
KloralfenazonDormupharIbiodormSominatWelldormSedorDichloralantipyrinEINECS 207-546-0
Database identifiers
- CAS
480-30-8- PubChem CID
- 10188
- DTXSID
DTXSID2022919
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 323
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Depressants and Tranquilizers
DEA Schedule IV Controlled Substance -> Depressants
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Human DrugsBreast Feeding; Lactation; Milk, Human; Anti-Inflammatory Agents, Non-Steroidal; Hypnotics and Sedatives
Physicochemical properties
- Melting point
- 68 ° · 68°
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 637 R279 · YYX637R279
- ATC code
- 5 CC04 · N05CC04
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H319
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationDEA schedule IV controlled substance
Other Safety InformationIMAP assessments - 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, compound with 2,2,2-trichloro-1,1-ethanediol (1:2): Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Safety data
- hs_code
- 2933194350
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H302-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Pharmacology
ATC Code
N - Nervous system
QN - Nervous system
Applications
UsesSedative-hypnotic.
UsesDichloralphenazone is a combination of Antipyrine (A697500) and Chloral Hydrate (T774055), and is used to of induce sleep in insomniacs.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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