Mn (II) -DO3A (sodium)

CAT: 0804-HY-157335-01Size: 5 mgDry Ice: NoHazardous: No

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Description

Mn (II) -DO3A sodium is a Mn (II) complex and a potential alternative to Gd-based MRI contrast agents[1].

CAS Number

120066-53-7

UNSPSC

12352100

Target

Biochemical Assay Reagents

Type

Reference compound

Related Pathways

Others

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/mn-ii-do3a-sodium.html

Purity

70.0

Solubility

10 mM in DMSO

Smiles

O=C1[O-][Mn+2]([N@]2(CC3)CC4=O)([N]53C1)([NH]6CC2)([O-]4)([O-]7)[N@](CC6)(CC5)CC7=O.[Na+]

Molecular Formula

C14H23MnN4NaO6

Molecular Weight

421.28

References & Citations

[1]Artali R, et al. Solution thermodynamics, computational and relaxometric studies of ditopic DO3A-based Mn (II) complexes[J]. New Journal of Chemistry, 2015, 39 (1) : 539-547.

Shipping Conditions

Room Temperature

Storage Conditions

4°C (Powder, sealed storage, away from moisture)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

Mn(II)-DO3A (sodium)

CAS Number	120066-53-7
PubChem CID	171364467
IUPAC Name	sodium;2-[4,7-bis(carboxylatomethyl)-1,4,7-triaza-10-azanidacyclododec-1-yl]acetate;manganese(2+)
Molecular Formula	C14H22MnN4NaO6-
Molecular Weight	420.28
Topological Polar Surface Area	131
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	0
Heavy Atom Count	26
Formal Charge	-1
Complexity	410

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

CAS: 120066-53-7

CID: 171364467

Formula: C14H22MnN4NaO6-

MW: 420.28

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	420.28
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	0
Exact Mass	420.081747
Monoisotopic Mass	420.081747
Topological Polar Surface Area	131 Å²
Heavy Atom Count	26
Formal Charge	-1
Complexity	410
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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Catalog	Name
T86916-01	Mn (II) -DO3A sodium
TYD-01361-01	Sodium tetrachloropalladate (II)
IN12893-01	Sodium tetrachloroplatinate (II)
OR1015034-01	Sodium Ionophore II
sc-474126	Sodium Pentacyanoammineferroate (II)
GX0432-50g	Sodium tetrachloroplatinate (II) solution
GX2315-5g	Sodium tetrachloropalladate (II) solution
sc-215634	Orange II sodium salt
IN3311	Sodium tetrachloropalladate (II) trihydrate
FS171088-01	Sodium hexacyanoferrate (II) decahydrate

Mn (II) -DO3A (sodium)

Chemical Information

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