Ornoprostil

C₂₃H₃₈O₆ — CID 5282205

About Ornoprostil

Ornoprostil (PubChem CID 5282205) has the molecular formula C₂₃H₃₈O₆ and a molecular weight of 410.55 g/mol. Its IUPAC name is methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]-6-oxoheptanoate.

Molecular Properties

• Compound Name: Ornoprostil
• PubChem CID: 5282205
• Molecular Formula: C₂₃H₃₈O₆
• Molecular Weight: 410.55 g/mol
• Exact Mass: 410.27
• IUPAC Name: methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]-6-oxoheptanoate
• SMILES: CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CC(=O)CCCCC(=O)OC
• InChI: InChI=1S/C23H38O6/c1-4-5-8-16(2)13-18(25)11-12-19-20(22(27)15-21(19)26)14-17(24)9-6-7-10-23(28)29-3/h11-12,16,18-21,25-26H,4-10,13-15H2,1-3H3/b12-11+/t16-,18+,19+,20+,21+/m0/s1
• InChIKey: BBRBUTFBTUFFBU-LHACABTQSA-N
• XLogP: 3.38
• TPSA: 100.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.55
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ornoprostil?

The IUPAC name of Ornoprostil (CID 5282205) is methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]-6-oxoheptanoate.

What is the SMILES notation for Ornoprostil?

The canonical SMILES for Ornoprostil is CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CC(=O)CCCCC(=O)OC.

What is the InChIKey of Ornoprostil?

The InChIKey is BBRBUTFBTUFFBU-LHACABTQSA-N. The full InChI is InChI=1S/C23H38O6/c1-4-5-8-16(2)13-18(25)11-12-19-20(22(27)15-21(19)26)14-17(24)9-6-7-10-23(28)29-3/h11-12,16,18-21,25-26H,4-10,13-15H2,1-3H3/b12-11+/t16-,18+,19+,20+,21+/m0/s1.

What are the key properties of Ornoprostil?

Ornoprostil has a molecular weight of 410.55 g/mol, XLogP of 3.38, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Ornoprostil is sourced from PubChem (CID 5282205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5282205 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1998 — approved-drug record (CC BY-SA 4.0)

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