Compound 40
  CheckMol                        TMF02:r0:m0
MF=C10H18N2Na2O8 MW=340.24
 22 19  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  -14.0440   -4.9374   -0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
   -7.3512   -2.3041   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8598   -2.2904   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6278   -0.9738   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6278   -3.5796   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8872   -4.8688   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6553   -6.1580   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4060   -4.8551   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1639   -6.1443   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6654   -3.5384   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9319   -7.4335   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9319   -4.8276   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1842   -3.5247   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4436   -4.8139   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4436   -2.2081   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2117   -6.1031   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9624   -2.1944   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7203   -6.0894   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4710   -7.3923   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2218   -3.4836   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2218   -0.8778   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
M  CHG  1   1   1
M  CHG  1   2   1
M  CHG  1  13  -1
M  CHG  1  22  -1
M  END

2D Structure

DiSodium Edetate

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Chemical Name - DiSodium Edetate
Mol Weight - 290.227
Smiles - [O-]C(CN(CCN(CC([O-])=O)CC(O)=O)CC(O)=O)=O.[Na+].[Na+]

Property Name	Property Value
Mol Name	DiSodium Edetate
Molweight	290.227
Monoisotopic Mass	290.075018
Clogp	-10.295
Clogs	1.67
H Acceptors	10
H Donors	2
Total Surface Area	215.42
Relative Psa	0.52929
Polar Surface Area	161.34
Druglikeness	-13.534
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.83947
Molecular Complexity	0.59188
Fragments	3
Non H Atoms	20
Non Ch Atoms	10
Electronegative Atoms	10
Rotatable Bonds	11
Sp3 Atoms	12
Symmetric Atoms	10
Amines	2
Alkyl Amines	2
Basic Nitrogens	2
Acidic Oxygens	4
Smiles	[O-]C(CN(CCN(CC([O-])=O)CC(O)=O)CC(O)=O)=O.[Na+].[Na+]
InChIKey	InChI=1S/C10H16N2O8.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;2*+1/p-2
InChI	ZGTMUACCHSMWAC-UHFFFAOYSA-L

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1 — DiSodium Edetate | 2 — DiSodium Edetate