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Profoxydim Lithium Salt

CAT: 0572-TRC-P755898-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P755898-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
281664-76-4
Synonyms
Profoxydim-lithium; 2-Cyclohexen-1-one, 2-[1-[[2-(4-chlorophenoxy)propoxy]imino]butyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-, lithium salt (9CI); BAS 625 lithium salt; 2-Cyclohexen-1-one, 2-[1-[[2-(4-chlorophenoxy)propoxy]imino]butyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-, lithium salt (1:1)
Hazard Statement
May cause an allergic skin reaction
Smiles
[Li+].CCC\C(=N/OCC(C)Oc1ccc(Cl)cc1)\C2=C([O-])CC(CC2=O)C3CCCSC3
Molecular Formula
C24 H31 Cl N O4 S . Li
Molecular Weight
471.97
InChI
InChI=1S/C24H32ClNO4S.Li/c1-3-5-21(26-29-14-16(2)30-20-9-7-19(25)8-10-20)24-22(27)12-18(13-23(24)28)17-6-4-11-31-15-17;/h7-10,16-18,27H,3-6,11-15H2,1-2H3;/q;+1/p-1/b26-21+;
Additionnal Information
IUPAC name: lithium;2-[(E)-N-[2-(4-chlorophenoxy)propoxy]-C-propylcarbonimidoyl]-3-oxo-5-(thian-3-yl)cyclohexen-1-olate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Profoxydim lithium salt
CAS Number281664-76-4
PubChem CID23592723
IUPAC Namelithium 2-[(E)-N-[2-(4-chlorophenoxy)propoxy]-C-propylcarbonimidoyl]-3-oxo-5-(thian-3-yl)cyclohexen-1-olate
Molecular FormulaC24H31ClLiNO4S
Molecular Weight472.0
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity666
SMILES
[Li+].CCC/C(=N\OCC(C)OC1=CC=C(C=C1)Cl)/C2=C(CC(CC2=O)C3CCCSC3)[O-]
InChI
InChI=1S/C24H32ClNO4S.Li/c1-3-5-21(26-29-14-16(2)30-20-9-7-19(25)8-10-20)24-22(27)12-18(13-23(24)28)17-6-4-11-31-15-17;/h7-10,16-18,27H,3-6,11-15H2,1-2H3;/q;+1/p-1/b26-21+;
InChIKey
LRGTYGSKTGIXOL-HCPJHKKFSA-M
Chemical Structure
2D Structure
2D structure of Profoxydim lithium salt
CAS: 281664-76-4
CID: 23592723
Formula: C24H31ClLiNO4S
MW: 472.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass471.1822358
Monoisotopic Mass471.1822358
Topological Polar Surface Area96.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity666
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
SHA32675-01Profoxydim lithium salt
M023-500MGMupirocin lithium salt
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sc-203997AHeparin, Lithium Salt
HY-115062-01MJ33 (lithium salt)
HY-17567B-01Heparin (Lithium salt)
574787MJ33 lithium salt
MBS635097-01Coenzyme A, Lithium Salt
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