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Miconazole nitrate salt

CAT: 0862-GA3642-25gSize: 25 gDry Ice: NoHazardous: No
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CAT#:0862-GA3642-25gSize:25 g
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CAS Number
22832-87-7
EC Number
245-256-6
MDL Number
MFCD00058161
HS Code
29332990
Purity
98.00%
Molecular Formula
C18H14Cl4N2OHNO3
Molecular Weight
479.15
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

Miconazole Nitrate

Miconazole is an antifungal prescription medicine approved by the U.S. Food and Drug Administration (FDA) for the treatment of mucocutaneouscandidiasis, including:

CAS Number22832-87-7
PubChem CID68553
IUPAC Name1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid
Molecular FormulaC18H15Cl4N3O4
Molecular Weight479.1
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity441
SMILES
C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl.[N+](=O)(O)[O-]
InChI
InChI=1S/C18H14Cl4N2O.HNO3/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)
InChIKey
MCCACAIVAXEFAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Miconazole Nitrate
CAS: 22832-87-7
CID: 68553
Formula: C18H15Cl4N3O4
MW: 479.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass478.978717
Monoisotopic Mass476.981667
Topological Polar Surface Area93.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity441
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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