Dextrorphan
Grundinformationen
- CAS
125-73-5- Standard-SMILES
CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13- InChIKey
JAQUASYNZVUNQP-PVAVHDDUSA-N- Summenformel
- C17H23NO
- Durchschnittliche Molmasse
- 257,37 g/mol
- Monoisotopische Masse
- 257,17796436
Überblick
Dextrorphan is a morphinane alkaloid.
Namen und Bezeichner
- Bevorzugter Name
- Dextrorphan
- IUPAC
- (1S,9S,10S)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
- Lokaler Name
- Dextrorphan
- Englischer Name
- DEXTRORPHAN
- Summenformel
- C17H23NO
- Molmasse
- 257.38
Namen und Synonyme
DEXTRORPHAN125-73-5DextrorphaneDextrorphanumd-3-Hydroxy-N-methylmorphinanDextro-DromoranRo 1-6794D-levorphanol(+)-dextrorphan04B7QNO9WSEnt-17-methylmorphinan-3-ol(+)-N-Methylmorphinan-3-ol
Weitere Namen anzeigen
Dextromethorphan EP Impurity BD-morphanLevorphanol d-formd-Form of levorphanolDEXTRORPHAN D-TARTRATE
CHEBI:29133RO-1-6794DTXSID30101417817-methyl-9alpha,13alpha,14alpha-morphinan-3-olMorphinan-3-ol, 17-methyl-, (9alpha,13alpha,14alpha)-Levorphanol D-RefChem:132419DTXCID601436721
Datenbank-Bezeichner
- CAS
125-73-5- PubChem CID
- 5360697
- DTXSID
DTXSID301014178- ChEMBL
CHEMBL1254766- ChEBI
CHEBI:29133- UNII
- 04B7QNO9WS
- EC Number
- 204-754-3
- Nikkaji
- J5.377E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,1
- Polarare Oberfläche (TPSA)
- 23,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 357
Experimentelle und physikochemische Eigenschaften
Drugs
DEA NFLIS-Drug Category -> Narcotics
Pharmaceuticals -> Metabolite of Dextromethorphan
LogP3.11
Human DrugsPharmaceuticals
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section158.89 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Schmelzpunkt
- 195 °C · ≥195 °C
- Siedepunkt
- 400.62 °C · 400.62°C (rough estimate)
- Dichte
- 0.9711 · 0.9711 (rough estimate)
- Brechungsindex
- 1.52 · 1.5200 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- saline: soluble(lit.)
- pka
- 10.07 · 10.07±0.20(Predicted)
- Farbe
- white to off-white
- EPA chemische Informationen
- -3 · Morphinan-3-ol, 17-methyl-, (9.alpha.,13.alpha.,14.alpha.)- (125-73-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- RTECS-Nr.
- QD1832000
- risk_code
- 22
- hazard_code
- Xn
Chemie und Industrie
Pharmakologische Informationen
Metabolism/MetabolitesDextrorphan is a known human metabolite of dextromethorphan.
MeSH Pharmacological Classification
Drugs that bind to but do not activate excitatory amino acid receptors, thereby blocking the actions of agonists.
Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.
Tissue LocationsKidney
Cellular LocationsCytoplasm
Verwendung und Herstellung
Use ClassificationPharmaceuticals
Anwendungen
VerwendenVasospastic therapy adjunct.
Zugehörige Reaktionen
4
Notizen zur Verbindung
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