Rutaecarpine
Grundinformationen
- CAS
84-26-4- Standard-SMILES
O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccccc12- InChIKey
ACVGWSKVRYFWRP-UHFFFAOYSA-N- Summenformel
- C18H13N3O
- Durchschnittliche Molmasse
- 287,3 g/mol
- Monoisotopische Masse
- 287,10586205
Überblick
Rutecarpine is a member of beta-carbolines.
Namen und Bezeichner
- Bevorzugter Name
- Rutaecarpine
- IUPAC
- 3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
- Englischer Name
- Rutaecarpine
- Summenformel
- C18H13N3O
- Molmasse
- 287.32
Namen und Synonyme
Rutaecarpine84-26-4Rutecarpine8,13-dihydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one8XZV289PRYNSC-2583173,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one8,13-DIHYDROINDOLO(2',3':3,4)PYRIDO(2,1-B)QUINAZOLIN-5(7H)-ONE3,13,21-triazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one3,13,21-triazapentacyclo(11.8.0.0^(2,10).0^(4,9).0^(15,20))henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one3,13,21-triazapentacyclo(11.8.0.02,10.04,9.015,20)henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-oneRefChem:883989
Weitere Namen anzeigen
RutaccarpineRUTECARPINE 95+Rutaecarpine-RMRutaecarpine >Rutaecarpine std.
RutacarpineRhetineRutaecarpinC18H13N3OMFCD00210551Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13-dihydro-7,8-dihydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(13H)-oneRUTECARPINE [MI]
Datenbank-Bezeichner
- CAS
84-26-4- PubChem CID
- 65752
- DTXSID
DTXSID00232884- ChEMBL
CHEMBL85139- ChEBI
CHEBI:8922- UNII
- 8XZV289PRY
- EC Number
- 635-907-6
- Nikkaji
- J3.210.250F、J4.894A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 48,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 516
Experimentelle und physikochemische Eigenschaften
Solubilityvery slightly
Boiling Point209.00 °C. @ 760.00 mm Hg
Melting Point260 °C
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 259.5 · 259.5-260°
- Siedepunkt
- 429.62 °C · 429.62°C (rough estimate)
- Dichte
- 1.203 · 1.2030 (rough estimate)
- Brechungsindex
- 1.5855 · 1.5855 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- Löslichkeit
- 18 mg/mL · DMSO: 18 mg/mL clear yellow solution, soluble
- Aggregatzustand
- solid
- pka
- 15.79 · 15.79±0.20(Predicted)
- Farbe
- white
- Merck
- 14 · 14,8298
- InChI
- InChI=1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2
- InChIKey
- ACVGWSKVRYFWRP-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC=C2)C(=O)N2CCC3C4=C(NC=3C=12)C=CC=C4
- CAS Datenbank
- 84 · 84-26-4(CAS DataBase Reference)
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
This chemical does not meet GHS hazard criteria for 95% (38 of 40) of all reports.
Not Classified
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29339900
- RTECS-Nr.
- NM3454000
- risk_code
- 25-36/37/38
- hazard_code
- T
- safety_code
- 45-36-26
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites
Rutaecarpine has known human metabolites that include 6-Hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one, 5-Hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one, 11-hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one, 7-Hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one, 8-Hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one, and 3-Hydroxyrutaecarpine.
MeSH Pharmacological ClassificationDrugs used to cause dilation of the blood vessels.
Cellular LocationsMembrane
Anwendungen
BeschreibungThis alkaloid occurs with Evodiamine (q.v.) in the Chinese drug 'Wou-chou-yu' which is the dried fruit of Evodia rutaecarpa Benth. It crystallizes from boiling EtOH as colourless, or pale yellow, needles and is optically inactive. The acetyl derivative has m.p. 184-6°C and the benzoyl compound, m.p. 194°C. The alkaloid gives a yellow colour with concentrated H2S04 and is decomposed by KOH in boiling amyl alcohol yielding anthranilic acid and 3-{3-aminoethylindole- 2-O!carboxylic acid, CllH120 2N2, silky crystals, m.p. 257°C. Pharmacologically, the alkaloid causes increased arterial pressure on injection.
VerwendenRutaecarpine is an indole alkaloid contained in the fruit of Evodiae fruits. It been shown to ameliorate bodyweight gain through orexigenic neuropeptides NPY and AgRP. It also playes a role in the treatment of high blood pressure
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