Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen
Grundinformationen
- CAS
483-10-3- Standard-SMILES
COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O- InChIKey
BLGXFZZNTVWLAY-DKJBZYCGSA-N- Summenformel
- C21H26N2O3
- Durchschnittliche Molmasse
- 354,4 g/mol
- Monoisotopische Masse
- 354,1943427
Namen und Bezeichner
- Bevorzugter Name
- Corynanthine
- IUPAC
- methyl (1S,15R,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
- Lokaler Name
- Methyl-(16β,17α)-17-hydroxyyohimban-16-carboxylat
- Englischer Name
- CORYNANTHINE
- Summenformel
- C21H26N2O3
- Molmasse
- 354.44
Namen und Synonyme
corynanthine483-10-3RauhimbinCorynanthinF5Z7C9RK8UDTXSID401317915NSC-407306methyl (1S,15R,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylateMethyl (16beta,17alpha)-17-hydroxyyohimban-16-carboxylateYohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16beta,17alpha)-Yohimban-16beta-carboxylic acid, 17alpha-hydroxy-, methyl estermethyl (1S,15R,18S,19S,20S)-18-hydroxy-3,13-diazapentacyclo(11.8.0.0^(2,10).0^(4,9).0^(15,20))henicosa-2(10),4,6,8-tetraene-19-carboxylate
Weitere Namen anzeigen
Nsc407306RAUHIMBINECoynanthineCORYNANTHINE HCL(RG)corynanthine free baseCORYNANTHINE DIHYDRATE
methyl (1S,15R,18S,19S,20S)-18-hydroxy-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylateRefChem:128147DTXCID601747710207-590-0MFCD00069659CHEMBL31410SMR000857089methyl hydroxy[?]carboxylate
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 65,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 555
Experimentelle und physikochemische Eigenschaften
Solubility>53.2 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section
186 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
184.96 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；171.55 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；182.23 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；181.99 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Schmelzpunkt
- 225 · 225-230°C
- storage temp.
- 2 · 2-8°C
- LogP
- 2.2 · 2.200 (est)
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]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- 1544
- risk_code
- 25
- safety_code
- 1-20-45
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Agents that dilate the pupil. They may be either sympathomimetics or parasympatholytics.
Drugs that bind to and block the activation of ADRENERGIC ALPHA-2 RECEPTORS.
Drugs used in the treatment of urological conditions and diseases such as URINARY INCONTINENCE and URINARY TRACT INFECTIONS.
Anwendungen
BeschreibungThis alkaloid has been isolated by Hoffmann from the bark of Rauwolfia serpentina. It forms colourless crystals from Me2CO and has [α]20D - 82° (c 0.5, pyridine).
Anbieter21 Anbieter
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Zugehörige Reaktionen
1
Notizen zur Verbindung
Wird geladen…