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EUK 118

CAT: 0607-C4669-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-C4669-10Size:10 mg
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Description
inhibitor of superoxide-mediated reduction of an electron acceptor
CAS Number
186299-34-3
Product Name Alternative
(acetato-κO)[[2,2'-[1,2-ethanediylbis[(nitrilo-κN)methylidyne]]bis[3,5-dimethoxyphenolato-κO]](2-)]-manganese
Field of Research
Others SOD
Purity
≥ 95.00%
Form
A crystalline solid
Solubility
≤1mg/ml in ethanol;20mg/ml in DMSO
Smiles
CC([O-][Mn]123([N](CC[N]2=CC4=C(OC)C=C(OC)C=C4[O-]3)=CC5=C(OC)C=C(OC)C=C5[O-]1)[Mn][Mn+])=O
Molecular Formula
C22H25MnN2O8
Molecular Weight
610.26
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

CID 53394082
CAS Number186299-34-3
PubChem CID53394082
IUPAC Name2-[2-[(2,4-dimethoxy-6-oxidophenyl)methylideneamino]ethyliminomethyl]-3,5-dimethoxyphenolate;manganese;acetate
Molecular FormulaC22H25Mn3N2O8-3
Molecular Weight610.3
Topological Polar Surface Area148
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge-3
Complexity559
SMILES
CC(=O)[O-].COC1=CC(=C(C(=C1)OC)C=NCCN=CC2=C(C=C(C=C2OC)OC)[O-])[O-].[Mn].[Mn].[Mn]
InChI
InChI=1S/C20H24N2O6.C2H4O2.3Mn/c1-25-13-7-17(23)15(19(9-13)27-3)11-21-5-6-22-12-16-18(24)8-14(26-2)10-20(16)28-4;1-2(3)4;;;/h7-12,23-24H,5-6H2,1-4H3;1H3,(H,3,4);;;/p-3
InChIKey
MAFGPDWFRWXFGZ-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of CID 53394082
CAS: 186299-34-3
CID: 53394082
Formula: C22H25Mn3N2O8-3
MW: 610.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight610.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass609.975220
Monoisotopic Mass609.975220
Topological Polar Surface Area148 Ų
Heavy Atom Count35
Formal Charge-3
Complexity559
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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