Ecgonine
Grundinformationen
- CAS
481-37-8- Standard-SMILES
CN1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H](O)C2- InChIKey
PHMBVCPLDPDESM-FKSUSPILSA-N- Summenformel
- C9H15NO3
- Durchschnittliche Molmasse
- 185,22 g/mol
- Monoisotopische Masse
- 185,10519334
Überblick
Ecgonine is a tropane alkaloid that consists of tropane bearing carboxy and hydroxy substituents at positions 2 and 3 respectively and having (1R,2R,3S,5S)-configuration. It is both a metabolite of and a precursor to cocaine. It has a role as a metabolite and a mouse metabolite. It is a tropane alkaloid and a 2-hydroxy monocarboxylic acid.
Namen und Bezeichner
- Bevorzugter Name
- Ecgonine
- IUPAC
- (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
Namen und Synonyme
Ecgonine(-)-Ecgonine1-Ecgonine481-37-83beta-Hydroxy-2beta-tropanecarboxylic acidDX2E9E17AV(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acidCHEBI:4743IDS-NE-001DTXSID7010198993beta-hydroxy-1alphaH,5alphaH-tropane-2beta-carboxylic acid(1R,2R,3S,5S)-3-HYDROXY-8-METHYL-8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID
Weitere Namen anzeigen
RefChem:5905403 beta-hydroxy-2 beta-tropanecarboxylic acidDTXCID601022522207-565-4DL-Ecgonine(+/-)-EcgonineEcgonine, (+/-)-Ecgonine (+/-)-form [MI]
Datenbank-Bezeichner
- CAS
481-37-8、54808-87-6- PubChem CID
- 91460
- DTXSID
DTXSID701019899- ChEBI
CHEBI:4743- UNII
- 342I22959I、DX2E9E17AV
- EC Number
- 207-565-4
- Nikkaji
- J12.430C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,8
- Polarare Oberfläche (TPSA)
- 60,8 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 231
Experimentelle und physikochemische Eigenschaften
Drugs
DEA NFLIS-Drug Category -> Narcotics
Pharmaceuticals -> Listed in ZINC15
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Agents that induce NARCOSIS. Narcotics include agents that cause somnolence or induced sleep (STUPOR); natural or synthetic derivatives of OPIUM or MORPHINE or any substance that has such effects. They are potent inducers of ANALGESIA and OPIOID-RELATED DISORDERS.
Zugehörige Reaktionen
3
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