Grundinformationen
- Standard-SMILES
CCCCC[C@H](O)/C=C/C1=C(CCCCCCC(=O)O)C(=O)CC1- InChIKey
YBHMPNRDOVPQIN-VSOYFRJCSA-N- Summenformel
- C20H32O4
- Durchschnittliche Molmasse
- 336,5 g/mol
- Monoisotopische Masse
- 336,2300595
Namen und Bezeichner
- Bevorzugter Name
- Pgb1
- IUPAC
- 7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopenten-1-yl]heptanoic acid
- Englischer Name
- PROSTAGLANDIN B1
- Summenformel
- C20H32O4
- Molmasse
- 336.47
Namen und Synonyme
prostaglandin B113345-51-2PGB11TYI1PJ64TDTXSID0013476099-oxo-15S-hydroxy-8(12),13E-prostadienoic acidProsta-8(12),13-dien-1-oic acid, 15-hydroxy-9-oxo-, (13E,15S)-7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopenten-1-yl]heptanoic acidCHEBI:276247-(2-((E,3S)-3-hydroxyoct-1-enyl)-5-oxocyclopenten-1-yl)heptanoic acidRefChem:176604DTXCID10115038
Weitere Namen anzeigen
Alprostadil (Prostaglandin E1) EP Impurity BPGE1-27815-epi-PGB1Postaglandin B1PROSTAGLANDINS B1Prostaglandin Impurity B
(13E,15S)-15-hydroxy-9-oxoprosta-8(12),13-dien-1-oic acidPROSTAGLANDINB1PGB1 (Prostaglandin B1)Prosta-8(12),13-dien-1-oicacid, 15-hydroxy-9-oxo-, (13E,15S)-MLS000069509CHEMBL1561148SMR000058636Prostaglandin E1-278
Datenbank-Bezeichner
- CAS
13345-51-2- PubChem CID
- 5280388
- DTXSID
DTXSID001347609- ChEMBL
CHEMBL1561148- ChEBI
CHEBI:27624- UNII
- 1TYI1PJ64T
- Nikkaji
- J16.061J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4
- Polarare Oberfläche (TPSA)
- 74,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 13
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 462
Experimentelle und physikochemische Eigenschaften
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 69 · 69-71°C
- Siedepunkt
- 531.4 · 531.4±43.0 °C(Predicted)
- Dichte
- 1.101 · 1.101±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- Löslichkeit
- 20 mg/mL, · acetone: 20 mg/mL, clear, colorless to very faintly yellow
- Aggregatzustand
- powder
- pka
- 4.77 · 4.77±0.10(Predicted)
- Farbe
- white to light yellow
- Biologische Quelle
- synthetic
- BRN
- 2004447 · 2004447
- Stabilität
- Light Sensitive
- InChI
- 1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,17,21H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t17-/m0/s1
- InChIKey
- YBHMPNRDOVPQIN-VSOYFRJCSA-N
- SMILES
- O=C1C(CCCCCCC(O)=O)=C(/C=C/[C@H](CCCCC)O)CC1
Sicherheit und Regulatorisches
Sicherheitsdaten
- F
- 8-10
- wgk
- 3
- hs_code
- 2937500000
- safety_code
- 22-24/25
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular;Membrane
Anwendungen
VerwendenProstaglandin B1 is a novel microbial biopolymer which has been shown to improve the longevity of type 2 diabetic rodents. Oligomers of prostaglandin B1 inhibit arachidonic acid mobilization in human neutrophils and endothelial cells.
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