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(S)-Famoxadone

CAT: 0572-TRC-F102320-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F102320-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
132584-12-4
Hazard Statement
No Data Available
Smiles
C[C@]1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(Oc4ccccc4)cc3
Molecular Formula
C22 H18 N2 O4
Molecular Weight
374.389
InChI
InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3/t22-/m0/s1
Additionnal Information
IUPAC name: (5S)-3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione
Shipping Conditions
Room Temperature

Chemical Information

(S)-famoxadone

(S)-famoxadone is a 5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-1,3-oxazolidine-2,4-dione that is the (active) (S)-enantiomer of famoxadone. It prevents spore germination and mycelial growth of sensitive fungi and is used in agriculture for the control of various fungal diseases. It has a role as a quinone outside inhibitor, a fungicide, an agrochemical and a mitochondrial cytochrome-bc1 complex inhibitor. It is an enantiomer of a (R)-famoxadone.

CAS Number132584-12-4
PubChem CID446845
IUPAC Name(5S)-3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione
Molecular FormulaC22H18N2O4
Molecular Weight374.4
XLogP5
Topological Polar Surface Area67.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity563
SMILES
C[C@@]1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4
InChI
InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3/t22-/m0/s1
InChIKey
PCCSBWNGDMYFCW-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of (S)-famoxadone
CAS: 132584-12-4
CID: 446845
Formula: C22H18N2O4
MW: 374.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.4
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass374.12665706
Monoisotopic Mass374.12665706
Topological Polar Surface Area67.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity563
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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