Grundinformationen
- CAS
128-57-4- Standard-SMILES
O=C(O)c1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O- InChIKey
IPQVTOJGNYVQEO-AIFLABODSA-N- Summenformel
- C42H38O20
- Durchschnittliche Molmasse
- 862,7 g/mol
- Monoisotopische Masse
- 862,1956436
Überblick
Sennoside B is a member of the class of sennosides that is (9R,9'S)-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid which is substituted by hydroxy groups at positions 4 and 4', by beta-D-glucopyranosyloxy groups at positions 5 and 5', and by oxo groups at positions 10 and 10'. It is an oxo dicarboxylic acid and a member of sennosides.
Namen und Bezeichner
- Bevorzugter Name
- Sennoside B
- IUPAC
- (9S)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid
- Lokaler Name
- Sennosid B
- Englischer Name
- Sennoside B
- Summenformel
- C42H38O20
- Molmasse
- 862.74
Namen und Synonyme
Sennoside B128-57-4EINECS 204-895-0F887D1637WNSC 112930SENNOSIDE B [USP-RS]SENNOSIDE B [WHO-DD]DTXSID6051433CHEBI:34975(9S)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acidSENNOSIDE B (USP-RS)SENNOSIDE B (CONSTITUENT OF SENNA LEAF AND PODS) [DSC]
Weitere Namen anzeigen
Tisasen BPURSENNIDEGLYSENNIDESennosides BSENNOSIDE B(P)Sennoside B RSSENNIDINE B(RG)SENNOSIDE B(SH)Sennoside B(AS)
(-)-(9R,9'S)-5,5'-bis(beta-D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid(9R,9'S)-5,5'-BIS(.BETA.-D-GLUCOPYRANOSYLOXY)-9,9',10,10'-TETRAHYDRO-4,4'-DIHYDROXY-10,10'-DIOXO(9,9'-BIANTHRACENE)-2,2'-DICARBOXYLIC ACID(9R,9'S)-5,5'-bis(beta-D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid(9S)-9-((9R)-2-carboxy-4-hydroxy-10-oxo-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-9H-anthracen-9-yl)-4-hydroxy-10-oxo-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-9H-anthracene-2-carboxylic acidRefChem:884887DTXCID5030034SENNOSIDE B (CONSTITUENT OF SENNA LEAF AND PODS)(9R,9'S)-5,5'-BIS(BETA-D-GLUCOPYRANOSYLOXY)-9,9',10,10'-TETRAHYDRO-4,4'-DIHYDROXY-10,10'-DIOXO(9,9'-BIANTHRACENE)-2,2'-DICARBOXYLIC ACID
Datenbank-Bezeichner
- CAS
128-57-4- PubChem CID
- 91440
- DTXSID
DTXSID6051433- ChEMBL
CHEMBL445268- ChEBI
CHEBI:34975- UNII
- F887D1637W
- EC Number
- 204-895-0
- Nikkaji
- J238.581C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 348 Ų
- H-Brücken-Donoren
- 12
- H-Brücken-Akzeptoren
- 20
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 62
- Formalladung
- 0
- Komplexität
- 1.550
Experimentelle und physikochemische Eigenschaften
LipidsPolyketides [PK] -> Aromatic polyketides [PK13] -> Anthracenes and phenanthrenes [PK1304]
LogP-0.686
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 209 · 209~212℃
- Siedepunkt
- 698.48 °C · 698.48°C (rough estimate)
- Dichte
- 1.3066 · 1.3066 (rough estimate)
- Brechungsindex
- 1.763 · 1.7630 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- DMSO (Very Slightly, Heated), Methanol (Slightly, Heated)
- pka
- 3.31 · 3.31±0.40(Predicted)
- Aggregatzustand
- Solid
- Farbe
- Light Yellow to Dark Yellow
- BRN
- 5723747 · 5723747
- Stabilität
- Hygroscopic
- InChIKey
- IPQVTOJGNYVQEO-IDJKMNDUNA-N
- LogP
- 1.88 · 1.880 (est)
- CAS Datenbank
- 128 · 128-57-4(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
Danger
H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P321, P330, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: [9,9'-Bianthracene]-2,2'-dicarboxylic acid, 5,5'-bis(.beta.-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (R*,S*)-
[9,9'-Bianthracene]-2,2'-dicarboxylic acid, 5,5'-bis(.beta.-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (9R,9'S)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesAcute Tox. 4 (60%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29329990
- risk_code
- 22
- safety_code
- 22-45-24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
UsesUse (kg; approx.) in Germany (2009): >10
Anwendungen
VerwendenSennoside B is used in the inhibition of platelet driven growth factor (PDGF) used and may inhibit proliferative disease which depend upon the PDGF pathway. Laxative.
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Ergänzende Hinweise
DefinitionChEBI: A member of the class of sennosides that is (9R,9'S)-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid which is substituted by hydroxy groups at positions 4 and 4', by beta-D glucopyranosyloxy groups at positions 5 and 5', and by oxo groups at positions 10 and 10'.
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