Risedronate

C₇H₁₁NO₇P₂ — CID 5245

About Risedronate

Risedronate (PubChem CID 5245) has the molecular formula C₇H₁₁NO₇P₂ and a molecular weight of 283.11 g/mol. Its IUPAC name is (1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid.

Molecular Properties

• Compound Name: Risedronate
• PubChem CID: 5245
• Molecular Formula: C₇H₁₁NO₇P₂
• Molecular Weight: 283.11 g/mol
• Exact Mass: 283.00
• IUPAC Name: (1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid
• SMILES: O=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O
• InChI: InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)
• InChIKey: IIDJRNMFWXDHID-UHFFFAOYSA-N
• XLogP: -0.37
• TPSA: 148.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	283.11
LogP ≤ 5	-0.37
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Risedronate?

The IUPAC name of Risedronate (CID 5245) is (1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid.

What is the SMILES notation for Risedronate?

The canonical SMILES for Risedronate is O=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O.

What is the InChIKey of Risedronate?

The InChIKey is IIDJRNMFWXDHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15).

What are the key properties of Risedronate?

Risedronate has a molecular weight of 283.11 g/mol, XLogP of -0.37, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Risedronate is sourced from PubChem (CID 5245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5245 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2387 — approved-drug record (CC BY-SA 4.0)

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