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Imisopasem manganese

CAT: 1568-C04406-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C04406-5mgSize:5 mg
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CAS Number
218791-21-0
Synonyms
M40403, GC4403
Additionnal Information
Imisopasem manganese (M40403) is a stable non-peptidyl mimetic of manganese superoxide MnSOD.
Storage Conditions
3 years-20°C powder 2 years-80°C in solvent

Chemical Information

Imisopasem Manganese

Imisopasem manganese is an organic molecular entity. It has a role as a radical scavenger and an enzyme mimic.

CAS Number218791-21-0
PubChem CID10195666
IUPAC Namemanganese(2+);(4R,9R,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;dichloride
Molecular FormulaC21H35Cl2MnN5
Molecular Weight483.4
Topological Polar Surface Area61
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Heavy Atom Count29
Formal Charge0
Complexity381
SMILES
C1CC[C@@H]2[C@@H](C1)NCCN[C@@H]3CCCC[C@H]3NCC4=CC=CC(=N4)CN2.[Cl-].[Cl-].[Mn+2]
InChI
InChI=1S/C21H35N5.2ClH.Mn/c1-3-10-20-18(8-1)22-12-13-23-19-9-2-4-11-21(19)25-15-17-7-5-6-16(26-17)14-24-20;;;/h5-7,18-25H,1-4,8-15H2;2*1H;/q;;;+2/p-2/t18-,19-,20-,21-;;;/m1.../s1
InChIKey
WXEMWBBXVXHEPU-XNPJUPKFSA-L
Chemical Structure
2D Structure
2D structure of Imisopasem Manganese
CAS: 218791-21-0
CID: 10195666
Formula: C21H35Cl2MnN5
MW: 483.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight483.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Exact Mass482.164995
Monoisotopic Mass482.164995
Topological Polar Surface Area61 Ų
Heavy Atom Count29
Formal Charge0
Complexity381
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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