Grundinformationen
- Standard-SMILES
Br.COC(=O)C1=CCCNC1- InChIKey
DOXOETUWVNVADB-UHFFFAOYSA-N- Summenformel
- C7H12BrNO2
- Durchschnittliche Molmasse
- 222,08 g/mol
- Monoisotopische Masse
- 221,00514072
Namen und Bezeichner
- Bevorzugter Name
- Guvacoline Hydrobromide
- IUPAC
- methyl 1,2,3,6-tetrahydropyridine-5-carboxylate;hydrobromide
- Englischer Name
- Guvacoline Hydrobromide
- Summenformel
- C7H12BrNO2
- Molmasse
- 222.07968
Namen und Synonyme
Guvacoline Hydrobromide17210-51-4Guvacoline (hydrobromide)methyl 1,2,3,6-tetrahydropyridine-5-carboxylate;hydrobromideDTXSID20574157Methyl 1,2,5,6-tetrahydropyridine-3-carboxylate--hydrogen bromide (1/1)MFCD02683335Guvacoline (hydrobromide?)orb3137051SCHEMBL8872254DOXOETUWVNVADB-UHFFFAOYSA-NDA-63972
Weitere Namen anzeigen
1,2,5,6-Tetrahydro-3-pyridinecarboxylic Acid Methyl Ester HydrobroMide1,2,5,6-tetrahydro-3-pyridinecarboxylic acid, methyl ester, monohydrobromide
HY-116490CS-0065632H60901T21725METHYL 1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLATE HYDROBROMIDE1,2,5,6-tetrahydropyridine-3-carboxylic acid methyl ester hydrobromideNorarecoline; 1,2,5,6-tetrahydro-3-pyridinecarboxylic acid, methyl ester, monohydrobromide
Datenbank-Bezeichner
- CAS
17210-51-4- PubChem CID
- 15560296
- DTXSID
DTXSID20574157
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 38,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 163
Physikochemische Eigenschaften
- Schmelzpunkt
- 144 °C · 144°C
- storage temp.
- -20 °C · -20°C Freezer
- Löslichkeit
- 1 mg/ml · ≤1mg/ml in DMSO;1mg/ml in dimethyl formamide
- Aggregatzustand
- crystalline solid
- InChI
- InChI=1S/C7H11NO2.BrH/c1-10-7(9)6-3-2-4-8-5-6;/h3,8H,2,4-5H2,1H3;1H
- InChIKey
- DOXOETUWVNVADB-UHFFFAOYSA-N
- SMILES
- C1C=C(C(OC)=O)CNC1.Br
Chemie und Industrie
Anwendungen
VerwendenA muscarinic receptor used as nootropic agent.
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