Molecular Identity
Alendronic Acid
(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid
PubChem CID: 2088
Alendronic acid is a 1,1-bis(phosphonic acid) that is methanebis(phosphonic acid) in which the two methylene hydrogens are replaced by hydroxy and 3-aminopropyl groups. It has a role as an EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor and a bone density conservation agent. It is a primary amino compound and a 1,1-bis(phosphonic acid). It is a conjugate acid of an alendronate(1-).
2D Structure
Properties
C4H13NO7P2
Molecular Formula
249.10
Molecular Weight
g/mol
249.0167
Exact Mass
Da
-6.5
XLogP
Drug-like (Lipinski: < 5)
161
TPSA
May have limited oral absorption
6
H-Bond Donors
8
H-Bond Acceptors
257
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)
ALENDRONIC ACIDalendronate66376-36-1(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acidAcido alendronicoAcide alendroniqueArendalAcidum alendronicum(4-Amino-1-hydroxybutylidene)bisphosphonic acidABDP(4-amino-1-hydroxybutane-1,1-diyl)bis(phosphonic acid)4-Amino-1-hydroxybutane-1,1-diphosphonic AcidPhosphonic acid, (4-amino-1-hydroxybutylidene)bis-MK 217X1J18R4W8P
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Alendronic Acid
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