Isoconazole nitrate - ≥98%(HPLC) , CAS No.24168-96-5

CAS: 24168-96-5 Cat. No.: I129266 Formule: C₁₈H₁₄Cl₄N₂O·HNO₃ Poids moléculaire: 479.14 Numéro CE: 246-051-4 PubChem CID: 159968

QUALITÉ & PURETÉ ≥98%(HPLC)

Synonyms

Isoconazole Nitrate; 1-[(2RS)-2-[(2,6-Dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole Nitrate; Miconazole Nitrate Imp. D (EP) as Nitrate; Miconazole Impurity D as Nitrate; Miconazole Nitrate Impurity D as Nitrate; Miconazole Impurity D as Ni

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

Isoconazole Nitrate; 1-[(2RS)-2-[(2,6-Dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole Nitrate; Miconazole Nitrate Imp. D (EP) as Nitrate; Miconazole Impurity D as Nitrate; Miconazole Nitrate Impurity D as Nitrate; Miconazole Impurity D as Ni

Spécifications et pureté

≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Broad-spectrum antibacterial, antifungal agent. Active against Gram-positive bacteria.

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Type d'action

INHIBITOR

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureté

≥98%(HPLC)

Noms et identifiants

Pubchem Sid

488188310

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188310

Sourires canoniques

C1=CC(=C(C(=C1)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]

IUPAC Name

1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid

InChIKey

NNGQLSIGRSTLLU-UHFFFAOYSA-N

INCHI

1S/C18H14Cl4N2O.HNO3/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)

Isomères SMILES

C1=CC(=C(C(=C1)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]

RTECS

NI4772000

PubChem CID

159968

Poids moléculaire

479.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Dichlorobenzenes N-substituted imidazoles Aryl chlorides Organic nitrates Heteroaromatic compounds Organic nitro compounds Organic nitric acids Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylether - 1,3-dichlorobenzene - Halobenzene - Chlorobenzene - N-substituted imidazole - Aryl halide - Aryl chloride - Heteroaromatic compound - Organic nitrate - Imidazole - Azole - Organic nitro compound - Organic nitric acid or derivatives - Organic nitric acid - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Solubilité: DMSO 41 mg/mL Water Ethanol 4 mg/mL
• Point de fusion (°C): 183°C(dec.)(lit.)
• Poids moléculaire: 479.100 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 478.979 Da
• Monoisotopic Mass: 476.982 Da
• Topological Polar Surface Area: 93.100 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 431.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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