Alendronic acid

• CAS: 66376-36-1
• Catalog Number: ACM66376361
• Category: Organic Phosphine Compounds
• Molecular Weight: 249.1
• Molecular Formula: C₄H₁₃NO₇P₂
• Synonyms: 4-AMINO-1-HYDROXY-1,1-BUTYLIDINEDIPHOSPHONIC ACID;(4-AMINO-1-HYDROXY-1-PHOSPHONOBUTYL)PHOSPHONIC ACID;(4-AMINO-1-HYDROXYBUTYLIDENE)-BIS-(PHOSPHONIC ACID);(4-AMINO-1-HYDROXYBUTYLIDENE)DIPHOSPHONIC ACID;ALENDRONATE;ALENDRONIC ACID;(4-amino-1-hydroxybutylidene)bis-phosphonicaci;4-amino-1-hydroxybutylidene-1,1-bis(phosphonicacid)
• IUPAC Name: (4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid
• Canonical SMILES: C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN
• InChI Key: OGSPWJRAVKPPFI-UHFFFAOYSA-N
• Boiling Point: 616.7ºC at 760 mmHg
• Melting Point: 230-235°C
• Flash Point: 326.7ºC
• Density: 1.857±0.06 g/cm³
• Appearance: White Crystalline Powder
• EC Number: 613-929-7
• Exact Mass: 249.01700
• Hazard Statements: H314
• H-Bond Acceptor: 8
• H-Bond Donor: 6
• MDL Number: MFCD00868112
• pKa: 1.66±0.10
• Supplemental Hazard Statements: H314
• Symbol: GHS05
• UN Number: 1759 8 / PGIII

Custom Q&A

What is the molecular formula of alendronic acid?

The molecular formula of alendronic acid is C4H13NO7P2.

What is the molecular weight of alendronic acid?

The molecular weight of alendronic acid is 249.10 g/mol.

What is the IUPAC name of alendronic acid?

The IUPAC name of alendronic acid is (4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid.

What is the InChI of alendronic acid?

The InChI of alendronic acid is 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).

What is the InChIKey of alendronic acid?

The InChIKey of alendronic acid is OGSPWJRAVKPPFI-UHFFFAOYSA-N.

What is the canonical SMILES of alendronic acid?

The canonical SMILES of alendronic acid is C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN.

What is the CAS number of alendronic acid?

The CAS number of alendronic acid is 66376-36-1.

What is the ChEBI ID of alendronic acid?

The ChEBI ID of alendronic acid is CHEBI:870.

What is the UNII of alendronic acid?

The UNII of alendronic acid is X1J18R4W8P.

Is alendronic acid a bisphosphonate?

Yes, alendronic acid is a bisphosphonate.