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Mn (II) -DO3A sodium

CAT: 0931-T86916-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T86916-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
120066-53-7
Target
Others
Related Pathways
Others
Bioactivity
Mn (II) -DO3A sodium is an Mn (II) complex and a potential alternative to Gd-based MRI contrast agents [1].
Smiles
O=C1[O-][Mn+2]23456[N]7(CC(=O)[O-]2)CC[NH]3CC[N]4(CC(=O)[O-]5)CC[N]6(C1)CC7.[Na+]
Molecular Formula
C14H23MnN4NaO6
Molecular Weight
421.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mn(II)-DO3A (sodium)
CAS Number120066-53-7
PubChem CID171364467
IUPAC Namesodium;2-[4,7-bis(carboxylatomethyl)-1,4,7-triaza-10-azanidacyclododec-1-yl]acetate;manganese(2+)
Molecular FormulaC14H22MnN4NaO6-
Molecular Weight420.28
Topological Polar Surface Area131
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count0
Heavy Atom Count26
Formal Charge-1
Complexity410
SMILES
C1CN(CCN(CCN(CC[N-]1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Mn+2]
InChI
InChI=1S/C14H25N4O6.Mn.Na/c19-12(20)9-16-3-1-15-2-4-17(10-13(21)22)6-8-18(7-5-16)11-14(23)24;;/h1-11H2,(H,19,20)(H,21,22)(H,23,24);;/q-1;+2;+1/p-3
InChIKey
OVRMTVHRWWZGAL-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of Mn(II)-DO3A (sodium)
CAS: 120066-53-7
CID: 171364467
Formula: C14H22MnN4NaO6-
MW: 420.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.28
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count0
Exact Mass420.081747
Monoisotopic Mass420.081747
Topological Polar Surface Area131 Ų
Heavy Atom Count26
Formal Charge-1
Complexity410
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-157335-01Mn (II) -DO3A (sodium)
GTR19306889-01Mn (II) -DO3A sodium
IN12893-01Sodium tetrachloroplatinate (II)
HY-W008145-01Sodium tetrachloropalladate (II)
sc-258169Sodium ionophore II
sc-474126Sodium Pentacyanoammineferroate (II)
GX0432-50gSodium tetrachloroplatinate (II) solution
GX2315-5gSodium tetrachloropalladate (II) solution
sc-215634Orange II sodium salt
IN3311Sodium tetrachloropalladate (II) trihydrate

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