Iloprost

Synonyms: Ciloprost, "Ventavis", "Iloprostum", "Endoprost", "Ilomedin", "ZK-36374", "(16R,S)-methyl-18,18,19,19-tetradehydro-6a-carbaprostaglandin I2", "(5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1H)-ylidene]pentanoic acid", "Ilomedine", "(16R,S)-Methyl-18,18,19,19-tetradehydro-6a-carbaprostaglandin I(sub 2)"

Source: Iloprost is a potent acute pulmonary vasodilator in HIV?related severe pulmonary hypertension

Identifiers:

IUPAC Name: (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
CAS Number: 78919-13-8
PubChem ID: 5311181
InChiKey: HIFJCPQKFCZDDL-ACWOEMLNSA-N
Canonical SMILES: CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O

Structural Properties:

Molecular Formula: C₂₂H₃₂O₄
Molecular Weight: 360,500

Pharmacophore Features:

Number of bond donors: 3
Number of bond acceptors: 4
Number of atoms different from hydrogen: 26

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Emerging Contaminant

Syakti, A. D., Ahmed, M. M., Hidayati, N. V., Hilmi, E., Sulystyo, I., Piram, A., & Doumenq, P. (2013). Screening of emerging pollutants in the mangrove of Segara Anakan Nature Reserve, Indonesia. IERI Procedia, 5, 216-222.

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2D-structure

3D-structure