(3R)-Treprostinil
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Basic information
- CAS
343247-13-2- Standard SMILES
CCCCC[C@@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O- InChIKey
PAJMKGZZBBTTOY-KWLWEVDOSA-N- Molecular formula
- C23H34O5
- Average molar mass
- 390.5 g/mol
Names & identifiers
- Preferred name
- (3R)-Treprostinil
- IUPAC
- 2-[[(1R,2R,3aS,9aS)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid
- English name
- 15-epi-Treprostinil
- Molecular formula
- C23H34O5
- Molecular weight
- 390.51
Names & synonyms
343247-13-2(3R)-TREPROSTINIL15-epi-TreprostinilTreprostinil Impurity 3Treprostinil Impurity 20ZGK8DW84SKSCHEMBL4349622(3R)-Treprostinil; Acetic acid, 2-[[(1R,2R,3aS,9aS)-2,3,3a,4,9,9a-hexahydro-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-1H-benz[f]inden-5-yl]oxy]-; Acetic acid, [[(1R,2R,3aS,9aS)-2,3,3a,4,9,9a-hexahydro-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-1H-benz[f]inden-5-yl]oxy]- (9CI); 2-[[(1R,2R,3a2-(((1R,2R,3aS,9aS)-2-hydroxy-1-((R)-3-hydroxyoctyl)-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-5-yl)oxy)acetic acidACETIC ACID, 2-(((1R,2R,3AS,9AS)-2,3,3A,4,9,9A-HEXAHYDRO-2-HYDROXY-1-((3R)-3-HYDROXYOCTYL)-1H-BENZ(F)INDEN-5-YL)OXY)-Treprostinil isomer15-epi-Treprostinil Diethanolamine
Show more names
Treprostinil Impurity 5（15-epi-Treprostinil）Acetic acid, 2-[[(1R,2R,3aS,9aS)-2,3,3a,4,9,9a-hexahydro-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-1H-benz[f]inden-5-yl]oxy]-
Database identifiers
- CAS
343247-13-2- UNII
- ZGK8DW84SK
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 495
Physicochemical properties
- Boiling point
- 587.1 · 587.1±50.0 °C(Predicted)
- Density
- 1.158 · 1.158±0.06 g/cm3(Predicted)
- pka
- 3.19 · 3.19±0.10(Predicted)
- FDA UNII
- 8 DW84SK · ZGK8DW84SK
Chemistry & industry
Applications
Uses(3R)-Treprostinil is used as a reactant in the preparation of polyethylene glycol-prostaglandin analog complexes and treatment of peripheral vascular disease and pulmonary hypertension.
Related reactions
0 records
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Compound notes
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