STRONTIUM RANELATE

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Synonyms
Status
Molecule Category Salt-form
ATC M05BX03
UNII 04NQ160FRU
EPA CompTox DTXSID40872400

Structure

InChI Key XXUZFRDUEGQHOV-UHFFFAOYSA-J
Smiles N#Cc1c(N(CC(=O)[O-])CC(=O)[O-])sc(C(=O)[O-])c1CC(=O)[O-].[Sr+2].[Sr+2]
InChI
InChI=1S/C12H10N2O8S.2Sr/c13-2-6-5(1-7(15)16)10(12(21)22)23-11(6)14(3-8(17)18)4-9(19)20;;/h1,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22);;/q;2*+2/p-4

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H6N2O8SSr2
Molecular Weight 513.49
AlogP -0.08
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 176.23
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 23.0

Cross References

Resources Reference
ChEMBL CHEMBL3707306
DrugBank DB09267
FDA SRS 04NQ160FRU
PubChem 6918182
SureChEMBL SCHEMBL162654
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