Marvin  05311213282D          

 22 19  0  0  0  0            999 V2000
    9.7299   -8.9722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7299   -9.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4444  -10.2097    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.0155  -10.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0155  -11.0347    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.7299  -11.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7299  -12.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4444  -12.6847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0155  -12.6847    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.3009  -11.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5865  -11.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8719  -11.4472    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.8719  -12.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1575  -12.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1575  -13.5097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4430  -12.2722    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.1575  -11.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1575  -10.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4430   -9.7972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8719   -9.7972    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.9441   -9.9039    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.9838  -13.4326    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  CHG  8   3  -1   5   1   9  -1  12   1  16  -1  20  -1  21   1  22   1
M  END
> <ID>
CHEBI:64734

> <NAME>
EDTA disodium salt (anhydrous)

> <DEFINITION>
An organic sodium salt that is the anhydrous form of the disodium salt of ethylenediaminetetraacetic acid (EDTA).

> <STAR>
3

> <SYNONYM>
Na2H2EDTA; Na2-EDTA; N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycine], disodium salt; ethylenediaminetetraacetic acid disodium salt; ethylenebis(iminodiacetic acid) disoidum salt; EDTA disodium salt (anh.); EDTA disodium (anhydrous); EDTA disodium (anh.); EDTA disodium; Edetate disodium anhydrous; edetate disodium (anhydrous); edetate disodium (anh.); edetate disodium; disodium EDTA (anhydrous); disodium EDTA (anh.); disodium EDTA; disodium edetate (anhydrous); disodium edetate (anh.); disodium edetate; (ethylenedinitrilo)tetraacetic acid disodium salt

> <IUPAC_NAME>
disodium 2,2',2'',2'''-(ethane-1,2-diyldiammonio)tetraacetate

> <FORMULA>
C10H14N2Na2O8

> <MASS>
336.20630

> <MONOISOTOPIC_MASS>
336.05455

> <CHARGE>
0

> <SMILES>
[Na+].[Na+].[O-]C(=O)C[NH+](CC[NH+](CC([O-])=O)CC([O-])=O)CC([O-])=O

> <INCHI>
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

> <INCHIKEY>
ZGTMUACCHSMWAC-UHFFFAOYSA-L

> <BEILSTEIN_REGISTRY_NUMBER>
3822669

> <CAS_REGISTRY_NUMBER>
139-33-3

> <REAXYS_REGISTRY_NUMBER>
3822669

> <CHEMIDPLUS>
139-33-3

> <KEGG_DRUG_ACCESSION>
D03945

$$$$