(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol;hydron;chloride
Grundinformationen
- CAS
58895-64-0- Standard-SMILES
C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.[Cl-].[H+]- InChIKey
GYWMRGWFQPSQLK-OPHZJPRHSA-N- Summenformel
- C21H26ClNO3
- Durchschnittliche Molmasse
- 375,9 g/mol
- Monoisotopische Masse
- 375,1601214
Überblick
See also: Nalmefene Hydrochloride (preferred); Nalmefene (has active moiety).
Namen und Bezeichner
- Bevorzugter Name
- (4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol;hydron;chloride
- IUPAC
- (4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol;hydron;chloride
- Englischer Name
- Nalmefene hydrochloride
- Summenformel
- C21H26ClNO3
- Molmasse
- 375.89
Namen und Synonyme
SCHEMBL17075347RevexNALMEFENE HCLUnii-K7K69qc05xNalmefene Impurity 2nalmefene hydrochlorideNalmefene Hydrochloride IMPNalmefene Hydrochloride Impurity(5a)-17-(CyclopropylMethyl)-6-Methylene-4,5-epoxyMorphinan-3,14-diol(5α)-17-(Cyclopropylmethyl)-4,5-epoxy-6-methylenemorphinan-3,14-diolhydrochloride17-(cyclopropylmethyl)-4,5alpha-epoxy-6-methylenemorphinan-3,14-diol hydrochloride
Datenbank-Bezeichner
- CAS
58895-64-0- PubChem CID
- 57506750
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 52,9 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 618
Physikochemische Eigenschaften
- Schmelzpunkt
- 180 · 180-185°
- storage temp.
- Desiccate at RT
- Löslichkeit
- Soluble in Water (up to 25 mg/ml).
- Aggregatzustand
- solid
- pka
- 7.63 · 7.63(at 25℃)
- Farbe
- White
- Stabilität
- 2 years · Stable for 2 years from date of purchase as supplied. Solutions in distilled water may be stored at -20°C for up to 1 month.
- InChIKey
- GYWMRGWFQPSQLK-GGPQROQHNA-N
- SMILES
- O[C@]12CCC(=C)[C@]3([H])OC4C(=CC=C5C[C@@]1([H])N(CC1CC1)CC[C@@]23C=45)O.Cl |&1:1,6,15,24,r|
- CAS Datenbank
- 58895 · 58895-64-0
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- Alarmwort
- Achtung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Anwendungen
BeschreibungNalmefene hydrochloride has been introduced in the U.S.A. for opioid reversal following surgery, and in the reversal of opioid overdoses and epidurally administered narcotics. Nalmefene is an opioid antagonist that inhibits respiratory, analgesic and subjective effects of opioids. It has a higher potency, a longer duration of action, and superior bioavailability than the structurally related naltrexone. Nalmefene has a wide spectrum of biological activity and is in clinical trials for the treatment of interstitial cystitis, recalcitrant pruritus of cholestasis, stroke, rheumatoid arthritis, shock, CNS trauma, and alcoholism. Studies indicate that nalmefene does not induce morphine-like effects and has no apparent abuse potential.
VerwendenNalmefene Hydrochloride is a structural analog of Naltrexone (N285780) with opiate antagonist activity used in pharmaceutical treatment of alcoholism. Other pharmacological applications of this compound aim to reduce food cravings, drug abuse and pulmonary disease in affected individuals. Used as an opioid-induced tranquilizer on large animals in the veterinary industry. Narcotic antagonist
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