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Synopsis

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Chemistry

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Also known as: Dichloralantipyrine, 480-30-8, Dichloralphenazone civ, Antipyrine, compound with chloral hydrate (1:2), 1,2-dihydro-1,5-dimethyl-2-phenyl-3h-pyrazol-3-one, compd. with 2,2,2-trichloro-1,1-ethanediol (1:2), Yyx637r279

Molecular Formula

C₁₅H₁₈Cl₆N₂O₅

Molecular Weight

519.0 g/mol

InChI Key

ATKXDQOHNICLQW-UHFFFAOYSA-N

FDA UNII

YYX637R279

Dichloralphenazone is a sedative composed of chloral hydrate and phenazone. It is typically found in combination products Nodolor and Midrin containing [isometheptene] and [acetaminophen] used for the relief of tension and vascular headaches. It is a US Schedule IV drug and its clinical use is limited.

1 2D Structure

Dichloralantipyrine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,5-dimethyl-2-phenylpyrazol-3-one;2,2,2-trichloroethane-1,1-diol

2.1.2 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

2.1.3 InChI Key

ATKXDQOHNICLQW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=O)N(N1C)C2=CC=CC=C2.C(C(Cl)(Cl)Cl)(O)O.C(C(Cl)(Cl)Cl)(O)O

2.2 Other Identifiers

2.2.1 UNII

YYX637R279

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Dichloralantipyrine

2.3.2 Depositor-Supplied Synonyms

1. Dichloralantipyrine

2. 480-30-8

3. Dichloralphenazone Civ

4. Antipyrine, Compound With Chloral Hydrate (1:2)

5. 1,2-dihydro-1,5-dimethyl-2-phenyl-3h-pyrazol-3-one, Compd. With 2,2,2-trichloro-1,1-ethanediol (1:2)

6. Yyx637r279

7. Kloralfenazon

8. Dormuphar

9. Ibiodorm

10. Sominat

11. Welldorm

12. Sedor

13. Dichloralantipyrin

14. Einecs 207-546-0

15. Unii-yyx637r279

16. 3h-pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, Compd. With 2,2,2-trichloro-1,1-ethanediol (1:2)

17. Dichloralphenazone [usp:inn:ban]

18. Dichloralphenazone (usp)

19. 1,2-dihydro-1,5-dimethyl-2-phenyl-3h-pyrazol-3-one, Compound With 2,2,2-trichloroethane-1,1-diol (1:2)

20. Schembl115159

21. Antipyrine, Compd. With Chloral Hydrate (1:2)

22. Dichloralphenazone [mi]

23. Chembl1697834

24. Dtxsid2022919

25. Dichloralphenazone [vandf]

26. Dichloralphenazone [mart.]

27. Dichloralphenazone [who-dd]

28. 1,5-dimethyl-2-phenylpyrazol-3-one;2,2,2-trichloroethane-1,1-diol

29. Db01495

30. Dichloralphenazone Civ [usp-rs]

31. Dichloralphenazone [usp Impurity]

32. Ft-0750065

33. D03785

34. Q5272471

35. 1,2-dihydro-1,5-dimethyl-2-phenyl-3h-pyrazol-3-one Compd. With 2,2,2-trichloro-1,1-ethanediol (1:2)

36. 1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one - 2,2,2-trichloroethane-1,1-diol (1:2)

37. 1,5-dimethyl-2-phenyl-1h-pyrazol-3(2h)-one Compound With 2,2,2-trichloroethane-1,1-diol (1:2)

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₈Cl₆N₂O₅
Molecular Weight	519.0 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	517.931738 g/mol
Monoisotopic Mass	515.934688 g/mol
Topological Polar Surface Area	105 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	323
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

4 Pharmacology and Biochemistry

4.1 ATC Code

N - Nervous system

N05 - Psycholeptics

N05C - Hypnotics and sedatives

N05CC - Aldehydes and derivatives

N05CC04 - Dichloralphenazone

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Dichloralantipyrine

ACCESS ALL DATA

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CHEMISTRY

Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

1 API Suppliers

1 USDMF

RELATED EXCIPIENT COMPANIES

4 SPI Pharma

7 DKSH

3 Faran Shimi Pharmaceutical

1 Boai NKY Pharmaceuticals Ltd

10 Gangwal Healthcare

4 ACG Worldwide

1 Aeon Procare

5 Anhui Sunhere Pharmaceutical Excipients Co.,Ltd

11 BASF

2 DFE Pharma

7 Gangwal Chemicals

1 Ideal Cures Pvt Ltd

2 Ingredion Pharma Solutions

6 Kerry

3 Lonza Capsugel

10 Microlex e.U

1 Novo Excipients

2 Pharmatrans-Sanaq

3 Pluviaendo

2 Prachin Chemical

1 Qualicaps

17 Roquette

1 Seppic

3 Shanghai Shenmei Pharmaceutical Technology Co., Ltd

9 Sigachi Industries

1 Ulanqab Kema New Material

2 Vasa Pharmachem

EXCIPIENTS BY APPLICATIONS

47 Fillers, Diluents & Binders

25 Direct Compression

18 Thickeners and Stabilizers

16 Lubricants & Glidants

13 Coating Systems & Additives

13 Co-Processed Excipients

12 Granulation

11 Disintegrants & Superdisintegrants

10 Controlled & Modified Release

8 Empty Capsules

7 Solubilizers

7 Film Formers & Plasticizers

6 Taste Masking

5 Chewable & Orodispersible Aids

3 Emulsifying Agents

2 Coloring Agents

2 Parenteral

1 Topical

1 Rheology Modifiers

1 API Stability Enhancers

REF. STANDARDS & IMPURITIES

1 USP

1 Others

ACTIVE PHARMA INGREDIENTS

API REF. PRICE (USD/KG)

$ 0

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