8-methoxy-3,3,5-trimethyl-11H-pyrano(3,2-a)carbazole
Grundinformationen
- CAS
21087-98-9- Standard-SMILES
COc1ccc2[nH]c3c4c(c(C)cc3c2c1)OC(C)(C)C=C4- InChIKey
OSERHKINMDLESD-UHFFFAOYSA-N- Summenformel
- C19H19NO2
- Durchschnittliche Molmasse
- 293,4 g/mol
- Monoisotopische Masse
- 293,14157885
Überblick
Koenimbine is a member of carbazoles.
Namen und Bezeichner
- Bevorzugter Name
- 8-methoxy-3,3,5-trimethyl-11H-pyrano(3,2-a)carbazole
- IUPAC
- 8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole
- Englischer Name
- KOENIMBINE
- Summenformel
- C19H19NO2
- Molmasse
- 293.36
Namen und Synonyme
8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole8-methoxy-3,3,5-trimethyl-11H-pyrano(3,2-a)carbazoleRefChem:794352Koenimbine21087-98-9KoenimbinKenimbine8-Methoxy-3,3,5-trimethyl-3,11-dihydropyrano[3,2-a]carbazolePyrano(3,2-a)carbazole, 3,11-dihydro-8-methoxy-3,3,5-trimethyl-Koenimbine?3,11-Dihydro-8-methoxy-3,3,5-trimethylpyrano(3,2-a)carbazoleNSC127152
Weitere Namen anzeigen
NSC 127152Koenimbine-RMKoenimbine (Standard)3,11-Dihydro-8-methoxy-3,3,5-trimethylpyrano[3,2-a]carbazole8-Methoxy-3,3,5-trimethyl-3,11-dihydro-chromeno[5,6-b]indolePyrano[3,2-a]carbazole, 3,11-dihydro-8-methoxy-3,3,5-trimethyl-
orb1680586orb3140172CHEMBL2323768SCHEMBL29581663DTXSID90175317CHEBI:169698OSERHKINMDLESD-UHFFFAOYSA-NWAA08798
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,6
- Polarare Oberfläche (TPSA)
- 34,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 460
Experimentelle und physikochemische Eigenschaften
Melting Point194 - 195 °C
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 194 · 194-195℃
- Siedepunkt
- 482.1 · 482.1±45.0 °C(Predicted)
- Dichte
- 1.193 · 1.193
- pka
- 17.02 · 17.02±0.40(Predicted)
- InChI
- InChI=1S/C19H19NO2/c1-11-9-15-14-10-12(21-4)5-6-16(14)20-17(15)13-7-8-19(2,3)22-18(11)13/h5-10,20H,1-4H3
- InChIKey
- OSERHKINMDLESD-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=C(OC)C=C2)C2=C1C1C=CC(C)(C)OC=1C(C)=C2
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
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Sicherheitsdaten
- risk_code
- 36-53
- hazard_code
- Xi
- safety_code
- 26
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Anwendungen
BeschreibungIsolated from the fruit of Murraya koenigii Spreng. this base is closely allied to the two preceding bases as may be seen from the structure. The ultraviolet spectrum, however, differs from that of koenimbidine, having absorption maxima at 230, 240, 300, 340 and 360 mJI. The double bond in the pyrone ring may be reduced with the formation of the dihydro derivative, m.p. 250°C.
Anbieter19 Anbieter
云南西力生物技术股份有限公司0871-65217109 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
Zugehörige Reaktionen
1
Notizen zur Verbindung
Wird geladen…