Sennoside B

Base Information

• Chemical Name: Sennoside B
• CAS No.: 128-57-4
• Molecular Formula: C42H38O20
• Molecular Weight: 862.752
• Hs Code.: 29329990
• European Community (EC) Number: 204-895-0
• UNII: F887D1637W
• DSSTox Substance ID: DTXSID6051433
• Nikkaji Number: J238.581C
• Wikidata: Q27116344
• Metabolomics Workbench ID: 27931
• ChEMBL ID: CHEMBL445268
• Mol file: 128-57-4.mol

Synonyms:Sennoside B;128-57-4;SennosideB;EINECS 204-895-0;NSC 112930;MLS002473001;UNII-F887D1637W;CHEBI:34975;F887D1637W;SMR001397106;(9R,9'S)-4,4'-dihydroxy-10,10'-dioxo-5,5'-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-9,9',10,10'-tetrahydro-[9,9'-bianthracene]-2,2'-dicarboxylic acid;C42H38O20;NSC112930;Sennoside-B;Tisasen B;NSC-112930;Sennoside B CRS;C42-H38-O20;MFCD00151528;D09LBS;SENNOSIDE B (SENNA);cid_91440;SCHEMBL441194;SENNOSIDE B [USP-RS];SENNOSIDE B [WHO-DD];CHEMBL445268;DTXSID6051433;BDBM80739;Sennoside B (6CI,7CI,8CI);HMS2226P04;[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)-;EX-A4953;SENNOSIDES SENNOSIDE B [MI];LMPK13040017;s4018;AKOS016034289;CCG-270539;LS-2100;FT-0603291;A805843;Q-100117;Q27116344;SENNOSIDE B (CONSTITUENT OF SENNA LEAF AND PODS) [DSC];(-)-(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-[(9S)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracene-2-carboxylic acid;(9R,9'S)-4,4'-dihydroxy-10,10'-dioxo-5,5'-bis((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-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;[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(|A-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (9R,9'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)-;5,5'-bis(b-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-[9,9'-Bianthracene]-2,2'-dicarboxylic acid;5,5'-bis(b-delta-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-[9,9'-Bianthracene]-2,2'-dicarboxylic acid;5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-[9,9'-Bianthracene]-2,2'-dicarboxylic acid;5,5'-bis(beta-delta-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-[9,9'-Bianthracene]-2,2'-dicarboxylic acid;9,9'-Bianthracene]-2,2'-dicarboxylic acid, 5,5'-bis(hexopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (9R,9'S)-

Chemical Property of Sennoside B

Chemical Property:

• Appearance/Colour: light yellow crystal
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 209～212℃
• Refractive Index: 1.762
• Boiling Point: 1144.8 °C at 760 mmHg
• PKA: 3.31±0.40(Predicted)
• Flash Point: 348.6 °C
• PSA: 347.96000
• Density: 1.743 g/cm³
• LogP: -1.09560
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Very Slightly, Heated), Methanol (Slightly, Heated)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 9
• Exact Mass: 862.19564360
• Heavy Atom Count: 62
• Complexity: 1550

Purity/Quality:

98% ^*data from raw suppliers

Sennoside B ^*data from reagent suppliers

Safty Information:

• Statements: 22
• Safety Statements: 22-45-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O
• Isomeric SMILES: C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@H]5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O
• Recent EU Clinical Trials: A single-arm, open-label, multicentre, non-randomised, study to assess the effect and tolerability of standardised laxative therapy (SLT) for the reversal of opioid-induced constipation (OIC) in subjects suffering from malignant or non-malignant pain that requires around-the-clock opioid therapy.
• Uses: Sennoside 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.