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Alteconazole

CAT: 0931-T25058-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T25058-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
93479-96-0
Target
Others, Antifungal
Related Pathways
Microbiology/Virology, Others
Bioactivity
Alteconazole is an antifungal drug.
Smiles
C([C@]1([C@H](O1)C2=C(Cl)C=C(Cl)C=C2)C3=CC=C(Cl)C=C3)N4C=NC=N4
Molecular Formula
C17H12Cl3N3O
Molecular Weight
380.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Alteconazole
CAS Number93479-96-0
PubChem CID172289
IUPAC Name1-[[(2S,3R)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
Molecular FormulaC17H12Cl3N3O
Molecular Weight380.7
XLogP4.3
Topological Polar Surface Area43.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity449
SMILES
C1=CC(=CC=C1[C@@]2([C@H](O2)C3=C(C=C(C=C3)Cl)Cl)CN4C=NC=N4)Cl
InChI
InChI=1S/C17H12Cl3N3O/c18-12-3-1-11(2-4-12)17(8-23-10-21-9-22-23)16(24-17)14-6-5-13(19)7-15(14)20/h1-7,9-10,16H,8H2/t16-,17-/m1/s1
InChIKey
HUSJLAKLJPOCEL-IAGOWNOFSA-N
Chemical Structure
2D Structure
2D structure of Alteconazole
CAS: 93479-96-0
CID: 172289
Formula: C17H12Cl3N3O
MW: 380.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.7
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass379.004595
Monoisotopic Mass379.004595
Topological Polar Surface Area43.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity449
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19199525-01Alteconazole

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