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Caloxetate trisodium

PropertiesImageOccurences in reactions
MNX_IDMNXM103460Image of MNXM103460
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC23H28CaN3Na3O11
charge0
mass631.10428
referencekeggC:C20358
InChIKeyNAHFLJIBOXGAOE-UHFFFAOYSA-I
InChIInChI=1S/C23H33N3O11.Ca.3Na/c1-2-37-18-5-3-16(4-6-18)9-17(26(14-22(33)34)15-23(35)36)10-24(11-19(27)28)7-8-25(12-20(29)30)13-21(31)32;;;;/h3-6,17H,2,7-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36);;;;/q;+2;3*+1/p-5
SMILESCCOc1ccc(CC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])cc1.[Ca+2].[Na+].[Na+].[Na+]
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
seed.compound:cpd31053
seedM:cpd31053
kegg.compound:C20358
keggC:C20358
Caloxetate trisodium
keggC:M_C20358
seedM:M_cpd31053
secondary/obsolete/fantasy identifier