STRONTIUM RANELATE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: M05BX03
UNII: 04NQ160FRU

Structure
InChI Key XXUZFRDUEGQHOV-UHFFFAOYSA-J
Smile 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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
CAS NUMBER 135459-87-9
ChEMBL CHEMBL3707306
DrugBank DB09267
EPA CompTox DTXSID40872400
FDA SRS 04NQ160FRU
PubChem 6918182
SureChEMBL SCHEMBL162654
CONTENTS