Structure

InChI Key MVAWDZLMOYASSX-JPKZNVRTSA-L
Smile COCCOCCOCCOc1cccc(C2=N[C@@](C)(C(=O)[O-])CS2)c1O.O[Mg+]
InChI
InChI=1S/C18H25NO7S.Mg.H2O/c1-18(17(21)22)12-27-16(19-18)13-4-3-5-14(15(13)20)26-11-10-25-9-8-24-7-6-23-2;;/h3-5,20H,6-12H2,1-2H3,(H,21,22);;1H2/q;+2;/p-2/t18-;;/m1../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H25MgNO8S
Molecular Weight 439.77
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Cross References

Resources Reference
ChEMBL CHEMBL4297209
FDA SRS BG3Q8O5L5B
PubChem 135566057
SureChEMBL SCHEMBL15012367