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Chemical substance record

Alendronic acid

66376-36-1C4H13NO7P2249.096 g/mol
Organic/Inorganic Small MoleculeChEBI source record

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. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values
CAS number66376-36-1ChEBI ↗
Molecular formulaC4H13NO7P2ChEBI ↗
Molar mass249.096 g/molChEBI ↗
Monoisotopic mass249.01673 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:2567ChEBI ↗

Cross-source molecular data

PubChem
Molar mass249.10 g/molPubChem ↗
Exact mass249.01672575 DaPubChem ↗
Computed XLogP-6.5PubChem ↗
Topological polar surface area (Ų)161PubChem ↗
H-bond donors6PubChem ↗
H-bond acceptors8PubChem ↗
Rotatable bonds5PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

Copy any identifier
alendronic acid
(4-amino-1-hydroxybutane-1,1-diyl)bis(phosphonic acid)
OGSPWJRAVKPPFI-UHFFFAOYSA-N
NCCCC(O)(P(=O)(O)O)P(=O)(O)O
InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)

Names & synonyms

(4-amino-1-hydroxybutane-1,1-diyl)bis(phosphonic acid)acide alendroniqueacido alendronicoacidum alendronicum

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology
primary amino compoundChEBI parent class · 50994 ↗1,1-bis(phosphonic acid)ChEBI parent class · 77383 ↗
organic molecular entity

Roles recorded in ChEBI

antibacterial agentantineoplastic agentEC 2.5.1.1 (dimethylallyltranstransferase) inhibitorbone density conservation agentanti-HIV agentanti-HBV agentanti-asthmatic agent

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00401452 mol

Uses 249.096 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
O
Oxygen · 7 atoms
44.96%
P
Phosphorus · 2 atoms
24.87%
C
Carbon · 4 atoms
19.29%
N
Nitrogen · 1 atom
5.62%
H
Hydrogen · 13 atoms
5.26%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations
Replacing the pyrophosphate group of HMB-PP by a diphosphonate function abrogates Its potential to activate human gammadelta T cells but does not lead to competitive antagonism. ↗Bioorganic & medicinal chemistry letters · 2003 Apr 7 · PMID 12657258
Inhibitory effects of alendronate on cholinergic responses in rat lower esophageal sphincter. ↗European journal of pharmacology · 2006 May 10 · PMID 16626694
BE903519 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
US4705651 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
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Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:2567

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

NCBI PubChem · CID 2088 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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