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Ravuconazole 50mg

CAT: 0628-A12806-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A12806-50Size:50 mg
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CAS Number
182760-06-1

Chemical Information

Ravuconazole

Ravuconazole is a member of the class of triazoles that is 1-butyl-1H-1,2,4-triazole in which the butyl group is substituted at positions 2, 2, and 3 by hydroxy, 2,4-difluorophenyl, and 4-(p-cyanophenyl)-1,3-thiazol-2-yl groups, respectively (the R,R stereoisomer). It exhibits antifungal activity by inhibition of 14alpha demethylase, an enzyme involved in sterol synthesis, resulting in lysis of the fungal cell wall and fungal cell death. (NCIO4). It has a role as an EC 1.14.14.154 (sterol 14alpha-demethylase) inhibitor, an antileishmanial agent, an ergosterol biosynthesis inhibitor and an antifungal drug. It is a nitrile, a tertiary alcohol, a member of fluorobenzenes, a member of triazoles and a member of 1,3-thiazoles.

CAS Number182760-06-1
PubChem CID467825
IUPAC Name4-[2-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile
Molecular FormulaC22H17F2N5OS
Molecular Weight437.5
XLogP3.5
Topological Polar Surface Area116
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity657
SMILES
C[C@@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@](CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O
InChI
InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-7-6-17(23)8-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1
InChIKey
OPAHEYNNJWPQPX-RCDICMHDSA-N
Chemical Structure
2D Structure
2D structure of Ravuconazole
CAS: 182760-06-1
CID: 467825
Formula: C22H17F2N5OS
MW: 437.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.5
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass437.11218768
Monoisotopic Mass437.11218768
Topological Polar Surface Area116 Ų
Heavy Atom Count31
Formal Charge0
Complexity657
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

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