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Isoconazole nitrate

CAT: 0013-GTR19169820-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169820-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Isoconazole nitrate, marketed as Fazol and Travogen, is an azole antifungal compound. It is used in research to study antifungal mechanisms and efficacy in both in vitro assays and in vivo models of fungal infection.
CAS Number
24168-96-5
Product Name Alternative
Antibiotic, Antifungal, Bacterial, Inhibitor, Fazol, Fungal, Isoconazole, Isoconazole nitrate, Isoconazole Nitrate, inhibit, Travogyn
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Purity
99.47% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.17 mM) ; H2O:< 1 mg/mL (insoluble or slightly soluble) ; Ethanol:4 mg/mL (8.35 mM) ; DMSO:60 mg/mL (125.22 mM)
Smiles
O[N+] (=O) [O-].Clc1cc (Cl) c (cc1) C (Cn1ccnc1) OCc1c (Cl) cccc1Cl
Molecular Formula
C18H14Cl4N2O·HNO3
Molecular Weight
479.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Isoconazole Nitrate

See also: Isoconazole (has active moiety).

CAS Number24168-96-5
PubChem CID159968
IUPAC Name1-[2-(2,4-dichlorophenyl)-2-[(2,6-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
Complexity431
SMILES
C1=CC(=C(C(=C1)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]
InChI
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)
InChIKey
NNGQLSIGRSTLLU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isoconazole Nitrate
CAS: 24168-96-5
CID: 159968
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
Complexity431
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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