Alendronate(1-)
(4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate
Molecular Identity
Alendronate(1-)
(4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate
PubChem CID: 17684448
Alendronate(1-) is an organic anion. It is a conjugate base of an alendronic acid.
2D Structure
Properties
C4H12NO7P2-
Molecular Formula
248.09
Molecular Weight
g/mol
248.0089
Exact Mass
Da
-6.6
XLogP
Drug-like (Lipinski: < 5)
164
TPSA
May have limited oral absorption
5
H-Bond Donors
8
H-Bond Acceptors
279
Complexity
SMILES
Canonical SMILES
SMILES: C(CC(O)(P(=O)(O)O)P(=O)(O)[O-])CNIsomeric SMILES
SMILES: C(CC(O)(P(=O)(O)O)P(=O)(O)[O-])CNSynonyms(20)
alendronate(1-)CHEBI:50647RefChem:1076326Fosamax(4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinateAlendronate (Fosamax)hydrogen (4-amino-1-hydroxy-1-phosphonobutyl)phosphonatePHOSPHONATE, (4-AMINO-1-HYDROXY-1-PHOSPHONOBUTYL)-, SODIUM SALTHMS2090G15ALBB-021852BBL009931BDBM50247920STL032652AKOS005642293NCGC00165719-01
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Alendronate(1-)
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