Molecular Identity
Ibandronate
[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid
PubChem CID: 60852
2D Structure
Properties
C9H23NO7P2
Molecular Formula
319.23
Molecular Weight
g/mol
319.0950
Exact Mass
Da
-4.1
XLogP
Drug-like (Lipinski: < 5)
139
TPSA
Good oral absorption (< 140 A²)
5
H-Bond Donors
8
H-Bond Acceptors
342
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)OIsomeric SMILES
SMILES: CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)OSynonyms(20)
Ibandronic AcidIbandronate114084-78-5BondenzaIasibon{1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonic acidIbandronic Acid TevaIbandronic Acid AccordIbandronic Acid Sandoz[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acidAcido ibandronicoacide ibandroniqueUMD7G2653WNSC-722623DTXSID5048340
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Ibandronate
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