Aranidipine

C₁₉H₂₀N₂O₇ — CID 2225

About Aranidipine

Aranidipine (PubChem CID 2225) has the molecular formula C₁₉H₂₀N₂O₇ and a molecular weight of 388.38 g/mol. Its IUPAC name is 3-O-methyl 5-O-(2-oxopropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

• Compound Name: Aranidipine
• PubChem CID: 2225
• Molecular Formula: C₁₉H₂₀N₂O₇
• Molecular Weight: 388.38 g/mol
• Exact Mass: 388.13
• IUPAC Name: 3-O-methyl 5-O-(2-oxopropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• SMILES: COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)=O)C1c1ccccc1[N+](=O)[O-]
• InChI: InChI=1S/C19H20N2O7/c1-10(22)9-28-19(24)16-12(3)20-11(2)15(18(23)27-4)17(16)13-7-5-6-8-14(13)21(25)26/h5-8,17,20H,9H2,1-4H3
• InChIKey: NCUCGYYHUFIYNU-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 124.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.38
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Aranidipine?

The IUPAC name of Aranidipine (CID 2225) is 3-O-methyl 5-O-(2-oxopropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.

What is the SMILES notation for Aranidipine?

The canonical SMILES for Aranidipine is COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)=O)C1c1ccccc1[N+](=O)[O-].

What is the InChIKey of Aranidipine?

The InChIKey is NCUCGYYHUFIYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O7/c1-10(22)9-28-19(24)16-12(3)20-11(2)15(18(23)27-4)17(16)13-7-5-6-8-14(13)21(25)26/h5-8,17,20H,9H2,1-4H3.

What are the key properties of Aranidipine?

Aranidipine has a molecular weight of 388.38 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Aranidipine is sourced from PubChem (CID 2225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2225 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 234 — approved-drug record (CC BY-SA 4.0)

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