Misoprostol acid
Grundinformationen
- CAS
112137-89-0- Standard-SMILES
CCCCC(C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O- InChIKey
CNWGPXZGIIOYDL-MKYGPDKMSA-N- Summenformel
- C21H36O5
- Durchschnittliche Molmasse
- 368,5 g/mol
- Monoisotopische Masse
- 368,25627424
Überblick
de-esterified metabolite of misoprostol
Namen und Bezeichner
- Bevorzugter Name
- Misoprostol acid
- IUPAC
- 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid
- Englischer Name
- Misoprostol Acid
- Summenformel
- C21H36O5
- Molmasse
- 368.51
Namen und Synonyme
Misoprostol acid66792-31-212Z0SU967A15-Deoxy-16-hydroxy-16-methylprostaglandin E1SC-30695DTXSID601347869Prost-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, (11alpha,13E)-RefChem:159066DTXCID601776608112137-89-0Misoprostol free acidMisoprostol Acid (10 mg in 1 mL Methyl Acetate)
Weitere Namen anzeigen
8-iso Misoprostol acidMisoprostol Acid USP/EP/BPMisoprostol acid,racemic mixtureMisoprostol Acid, Technical Grade 65%(-15-Deoxy-(16RS)-16-hydroxy-16-methylprogestaglandin E(+-)-15-DEOXY-[16RS]-16-HYDROXY-16-METHYLPROSTAGLANDINE1(+/-)-15-DEOXY-[16RS]-16-HYDROXY-16-METHYLPROSTAGLANDIN E1
misoprostol (free acid form)SC 30695Carboprost Impurity 22MISOPROSTOLIC ACID7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acidMISOPROSTANOIC ACID7-((1R,2R,3R)-3-Hydroxy-2-((E)-4-hydroxy-4-methyloct-1-en-1-yl)-5-oxocyclopentyl)heptanoic acidMisoprostol Acid (Mixture of Diastereomers)
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 94,8 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 13
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 473
Physikochemische Eigenschaften
- Siedepunkt
- 538.3 · 538.3±50.0 °C(Predicted)
- Dichte
- 1.118 · 1.118±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- Chloroform
- Aggregatzustand
- Yellow viscous oil.
- pka
- 4.77 · 4.77±0.10(Predicted)
- Farbe
- Pale Yellow
- Stabilität
- Temperature Sensitive
- InChIKey
- CNWGPXZGIIOYDL-MKYGPDKMSA-N
- SMILES
- CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Sicherheitsdaten
- wgk
- 2
- ridadr
- UN 2810 6.1/PG 3
- risk_code
- 45-60-61-25-36/37/38
- hazard_code
- T
- safety_code
- 53-22-36/37/39-45-26
- hazard_class
- 6.1
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Repr. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
BeschreibungMisoprostol is a prostaglandin E1 analog with agonist activity mediated by EP2, EP3, and EP4 receptors. It has been shown to inhibit the formation of gastric lesions in rats (ED50 = 0.31 μg/kg), inhibit superoxide generation in human neutrophils (EC50 = 0.35 μM), and relax fetal rabbit ductus arteriosus (EC50 = 0.36 nM) in a concentration dependent manner. Misoprostol is commonly used in clinical medicine for the prevention of peptic ulcer disease. It has also been used in conjunction with mifepristone (RU-486; ) for the oral induction of first trimester abortion. Misoprostol contains a C-1 methyl ester and is readily absorbed and rapidly hydrolyzed in humans to the active free acid.
VerwendenMisoprostol Acid is a prostaglandin E1 analog with agonist activity mediated by EP2, EP3, and EP4 receptors. It has been shown to inhibit the formation of gastric lesions in rats (ED50 = 0.31 μg/kg), inhibit superoxide generation in human neutrophils (EC50 = 0.35 μM), and relax fetal rabbit ductus arteriosus (EC50 = 0.36 nM) in a concentration dependent manner. Misoprostol is commonly used in clinical medicine for the prevention of peptic ulcer disease. It has also been used in conjunction with mifepristone (RU-486; ) for the oral induction of first trimester abortion. Misoprostol contains a C-1 methyl ester and is readily absorbed and rapidly hydrolyzed in humans to the active free acid.
Anbieter11 Anbieter
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
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