HuagongsheHuagongshe Chemistry Print Report · For research reference only
8-Isoprostaglandin E2
(8S)-PGE2) · 8-ISO prostaglandin E2 · Dinoprostone EP Impurity B · XEYBRNLFEZDVAW-CLQOMRTCSA-N · 8-iso Prostaglandin E2 Exclusive · Alprostadil (Prostaglandin E1) Impurity 8 (8S)-PGE2 · Alprostadil (prostaglandin E1) Impurity 16 (8S) -PGE2 · 9-OXO-11ALPHA,15S-DIHYDROXY-(8BETA)-PROSTA-5Z,13E-DIEN-1-OIC ACID
Identifiers & Physical Properties
| CAS No. | 27415-25-4 |
|---|---|
| Molecular formula | C20H32O5 |
| Average molar mass | 352.5 g/mol |
| Monoisotopic mass | 352.22497412 g/mol |
| SMILES | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@H]1C/C=C\CCCC(=O)O |
| InChIKey | XEYBRNLFEZDVAW-CLQOMRTCSA-N |
| PubChem CID | 5283213 |
| ChEBI | CHEBI:131888 |
| DTXSID | DTXSID701024826 |
Chemical & Physical Properties
| XLogP | 2.8 |
|---|---|
| Topological polar surface area | 94.8 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 12 |
| Heavy atoms | 25 |
| Formal charge | 0 |
| Complexity | 469 |
| Lipids | Fatty Acyls [FA] -> Eicosanoids [FA03] -> Isoprostanes [FA0311] |
| Physical Description | Solid |
| Collision Cross Section | 188.6 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Calculation: Single FieldDataset: Oxylipins] |
| Boiling point | 530.1±50.0 °C(Predicted) |
| Density | 1.148±0.06 g/cm3(Predicted) |
| Storage conditions | Store at -20°C |
| Solubility | DMF: >100 mg/ml (from PGE2)DMSO: >100 mg/ml (from PGE2)Ethanol: >100 mg/ml (from PGE2)PBS pH 7.2: >5 mg/ml (from PGE2) |
| Physical state | A crystalline solid |
| pKa (acidity coefficient) | 4.75±0.10(Predicted) |
| Color | White to off-white |
| FDA UNII | W1ANC8Q5NW |
| GHS pictogram | GHS07,GHS08 |
| Signal word | Danger |
| GHS hazard statements | H302-H360 |
| GHS precautionary statements | P201-P202-P264-P270-P280-P301+P312-P330-P308+P313-P405-P501 |
Safety & Regulations
| Signal word | Danger |
|---|---|
| GHS pictogram | GHS07,GHS08 |
| GHS hazard statements | H302-H360 |
| GHS precautionary statements | P201-P202-P264-P270-P280-P301+P312-P330-P308+P313-P405-P501 |
Applications & Uses
Uses
8-iso Prostaglandin E2 is a Prostaglandin formed from arachidonic acid. 8-iso Prostaglandin E2 is an inhibitor of endogenous amino acid neurotransmitter levels in bovine retina.