Marvin  05311214352D          

 24 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
    7.0871  -14.5817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1148  -14.5817    0.0000 O   0  0  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:64758

> <NAME>
EDTA disodium salt dihydrate

> <DEFINITION>
A hydrate that is the dihydrate form of EDTA disodium salt.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:31511

> <SYNONYM>
Na2H2EDTA.2H2O; ethylenediaminetetraacetic acid disodium salt dihydrate; EDTA disodium dihydrate; edetate disodium; disodium EDTA dihydrate; disodium edetate dihydrate; disodium (ethylenedinitrilo)tetraacetate dihydrate

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

> <BRAND_NAME>
Endrate

> <FORMULA>
C10H18N2Na2O10

> <MASS>
372.23690

> <MONOISOTOPIC_MASS>
372.07568

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C10H16N2O8.2Na.2H2O/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);;;2*1H2/q;2*+1;;/p-2

> <INCHIKEY>
OVBJJZOQPCKUOR-UHFFFAOYSA-L

> <CAS_REGISTRY_NUMBER>
6381-92-6

> <REAXYS_REGISTRY_NUMBER>
3900609

> <CHEMIDPLUS>
6381-92-6

> <KEGG_DRUG_ACCESSION>
D01802

> <PUBMED_CITATION>
17283668; 4211915

$$$$