ibandronate (boniva) Report issue

Small molecule Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

359.23

ALogP

0.5

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCCCCN(C)CCC(O)(P(=O)([O-])O)P(=O)(O)O.O.[Na+]
  • InChIKey: VBDRTGFACFYFCT-UHFFFAOYSA-M
    InChI=1S/C9H23NO7P2.Na.H2O/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17;;/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17);;1H2/q;+1;/p-1
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3989569   ChEMBL
ibandronate sodium *

CHEMBL1201008   ChEMBL
ibandronate sodium

CHEMBL997   ChEMBL
ibandronic acid

UMD7G2653W   NCATS
ibandronic acid *

Ibandronic acid   Wikipedia

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