2,3-Dehydro Ketoconazole

Basic Information

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CAS Number

254912-63-5

Molecular Formula

C26H26N4O4Cl2

Molecular Weight

529.42 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC(=O)N1CCN(C=C1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C26H26Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-10,12,14,18,23H,11,13,15-17H2,1H3/t23-,26-/m0/s1

InChIKey

GHVFISLXKPKRQU-OZXSUGGESA-N

LogP

4.67990

Topological Polar Surface Area

69.06 Å²

Hydrogen Bond Donor/Acceptor

0 / 8

Complexity

783

Synonyms & References

English

2,3-Dehydro Ketoconazole
1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-2,3-dihydropyrazin-1-yl]ethanone
2,3,4-TRIMETHOXYPHENYLACETIC ACID
rel-1-[4-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-3,4-dihydro-1(2H)-pyrazinyl]ethanone
rel-1-Acetyl-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1,2,3,4-tetrahydropyrazine
(+/-)-1-Acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)1,2,3,4-tetrahydropyrazine
Ketoconazole impurity A [EP]
1-Acetyl-4-(4-(((2RS,4SR)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)1,2,3,4-tetrahydropyrazine
Ethanone, 1-(4-(4-(((2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-3,4-dihydro-1(2H)-pyrazinyl)-, rel-
54OX2F5ST1
DTXSID00180179
R-049223
1-(4-(4-((Trans-2-((1H-imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-3,4-dihydropyrazin-1(2H)-yl)ethanone
254912-63-5
Q27261230
1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)-1,2,3,4-tetrahydropyrazin-1-yl]ethan-1-one
UNII-54OX2F5ST1
KETOCONAZOLE IMPURITY A [EP IMPURITY]
rel-1-(4-(4-(((2R,4S)-2-((1H-imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-3,4-dihydropyrazin-1(2H)-yl)ethan-1-one

MDL Number

MFCD30543635

FAQ

What regulatory guidelines apply to 2,3-Dehydro Ketoconazole (CAS: 254912-63-5)?

2,3-Dehydro Ketoconazole (CAS: 254912-63-5) is subject to regulatory guidelines such as GHS classification for hazardous chemicals, REACH regulations for production and import in the EU, and FDA and EPA requirements for use and disposal. It is categorized as a fungicide under GHS and requires proper labeling and handling to comply with these regulations.

Are there alternatives to 2,3-Dehydro Ketoconazole (CAS: 254912-63-5) in synthesis?

Yes, there are alternatives to 2,3-Dehydro Ketoconazole (CAS: 254912-63-5) in synthesis. Common alternatives include other fungicides like Terbinafine, Econazole, and Ketoconazole itself. These alternatives can offer similar or different properties depending on the specific synthesis requirements and desired outcomes.

What is the market or research trend for 2,3-Dehydro Ketoconazole (CAS: 254912-63-5)?

The market for 2,3-Dehydro Ketoconazole (CAS: 254912-63-5) is seeing steady growth due to its effectiveness as a fungicide. Research trends are focused on its application in agriculture and dermatological treatments. There is also increasing interest in its use as a precursor in other chemical syntheses, driven by advancements in pharmaceutical and cosmetic industries.

How should waste containing 2,3-Dehydro Ketoconazole (CAS: 254912-63-5) be handled?

Waste containing 2,3-Dehydro Ketoconazole (CAS: 254912-63-5) should be collected in a sealed container and handled according to local and national regulations. It is advisable to incinerate the waste or use a professional waste disposal service. Proper environmental protection measures, such as avoiding soil and water contamination, should be taken during handling and disposal to ensure safety and compliance with regulations.