-
Name
Iloprost
- EINECS
- CAS No. 73873-87-7
- Density 1.21g/cm3
- Solubility
- Melting Point
- Formula C22H32O4
- Boiling Point 539.2oC at 760 mmHg
- Molecular Weight 360.49
- Flash Point 294oC
- Transport Information
- Appearance colorless oil
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms CILOPROST;6,9ALPHA-METHYLENE-11ALPHA,15S-DIHYDROXY-16-METHYL-PROSTA-5E,13E-DIEN-18-YN-1-OIC ACID;
- PSA 77.76000
- LogP 3.54130
Iloprost Chemical Properties
Molecule structure of Iloprost (CAS NO.73873-87-7):
IUPAC Name: (5E)-5-[(3aS,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
Molecular Weight: 360.48708 g/mol
Molecular Formula: C22H32O4
Density: 1.21 g/cm3
Boiling Point: 539.2 °C at 760 mmHg
Flash Point: 294 °C
Index of Refraction: 1.629
Molar Refractivity: 105.88 cm3
Molar Volume: 297.7 cm3
Surface Tension: 64.8 dyne/cm
Enthalpy of Vaporization: 93.9 kJ/mol
Vapour Pressure: 7.06E-14 mmHg at 25 °C
XLogP3-AA: 2.8
H-Bond Donor: 3
H-Bond Acceptor: 4
Rotatable Bond Count: 8
Exact Mass: 360.23006
MonoIsotopic Mass: 360.23006
Topological Polar Surface Area: 77.8
Heavy Atom Count: 26
Canonical SMILES: CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O
Isomeric SMILES: CC#CCC(C)[C@@H](/C=C/C1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)O
InChI: InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18?,19-,20+,21+/m0/s1
InChIKey: HIFJCPQKFCZDDL-SGSAMSKHSA-N
Product Categories: Prostaglandins
Iloprost Uses
Iloprost (CAS NO.73873-87-7) is a drug used to treat pulmonary arterial hypertension (PAH), scleroderma, Raynaud's phenomenon and ischaemia.
Iloprost Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 201mg/kg (201mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | New Cardiovascular Drugs. Vol. 4, Pg. 209, 1986. |
| mouse | LD50 | oral | > 100mg/kg (100mg/kg) | Drugs of the Future. Vol. 6, Pg. 676, 1981. | |
| rat | LD50 | intravenous | 119mg/kg (119mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | New Cardiovascular Drugs. Vol. 4, Pg. 209, 1986. |
| rat | LD50 | oral | > 100mg/kg (100mg/kg) | Drugs of the Future. Vol. 6, Pg. 676, 1981. |
Iloprost Specification
Iloprost (CAS NO.73873-87-7) is also named as (16R,S)-Methyl-18,18,19,19-tetradehydro-6a-carbaprostaglandin I(sub 2) ; (E)-(3aS,4R,5R,6aS)-Hexahydro-5-hydroxy-4-((E)-(3S,4RS)-3-hydroxy-4-methyl-1-octen-6-ynyl)-delta(sup 2(1H),delta)-pentalenevaleric acid ; (E)-5-(3aS,4R,5R,6aS)-5-Hydroxy-4((E)-(3S,4RS)-3-hydroxy-4-methyl-1-octen-6-inyl)perhydropentalen-2-yliden)valeriansaeure ; Ciloprost ; Iloprostum ; Iloprostum [Latin] ; UNII-JED5K35YGL ; Ventavis ; ZK 36374 .
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