Pentosan Polysulfate
PubChem CID: 37720
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| Compound Synonyms | 37300-21-3, Xylan, hydrogen sulfate, UNII-F59P8B75R4, [(2R,3R,4S,5R)-2-hydroxy-5-[(2S,3R,4S,5R)-5-hydroxy-3,4-disulfooxyoxan-2-yl]oxy-3-sulfooxyoxan-4-yl] hydrogen sulfate, F59P8B75R4, [(2S,3R,4S,5R)-5-hydroxy-2-{[(3R,4S,5R,6R)-6-hydroxy-4,5-bis(sulfooxy)oxan-3-yl]oxy}-4-(sulfooxy)oxan-3-yl]oxidanesulfonic acid, 11096-31-4, Xylan hydrogen sulfate, Pentosanpolysulfat, BAY 946, Pentosani polysulfas, Pentosane polysulfate, Pentosano polisulfato, PENTOSAN POLYSULPHATE, SCHEMBL157354, CCRIS 8869, XYLAN, HYDROGEN SULPHATE, CHEMBL4073796, DTXSID1025229, HSDB 7294, DTXCID50113255, DTXSID10190764, CHEBI:184555, 4-O-METHYL-alpha-D-GLUCURONO-beta-D-XYLAN, HYDROGEN SULFATE, CB-8061, DB00686, NSC 626201, NS00071072, EN300-26978256, Q7165276, 4-O-METHYL-alpha-D-GLUCURONO-beta-D-XYLAN, HYDROGEN SULPHATE, (4-O-METHYL-alpha-D-GLUCURONO)-(1->2)-(1->4)-beta-D-XYLOPYRANAN, HYDROGEN SULFATE, (4-O-METHYL-alpha-D-GLUCURONO)-(1->2)-(1->4)-beta-D-XYLOPYRANAN, HYDROGEN SULPHATE, (2R,3R,4S,5R)-2-Hydroxy-5-(((2S,3R,4S,5R)-5-hydroxy-3,4-bis(sulfooxy)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3,4-diyl bis(hydrogen sulfate), [(2R,3R,4S,5R)-2-hydroxy-5-[(2S,3R,4S,5R)-5-hydroxy-3,4-disulooxyoxan-2-yl]oxy-3-sulooxyoxan-4-yl] hydrogen sulate, [(2R,3R,4S,5R)-2-Hydroxy-5-{[(2S,3R,4S,5R)-5-hydroxy-3,4-bis(sulfooxy)oxan-2-yl]oxy}-4-(sulfooxy)oxan-3-yl]oxidanesulfonic acid, 2763886-11-7, 39432-58-1 |
|---|---|
| Topological Polar Surface Area | 356.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 35.0 |
| Description | Cartrophen-Vet is a 100mg/ml formulation of Pentosan polysulphate that has been used in Australia since the early 1990s. It is produced by Biopharm Australia , a subsidiary of R-Biopharm, Germany., Pentosan polysulfate sodium is a low molecular weight heparin-like compound. It has anticoagulant and fibrinolytic effects. Pentosan polysulfate is found in garden onion, fig, and tamarind. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1140.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Enzyme Uniprot Id | P09038, P05230 |
| Uniprot Id | P09038, P05230, P08620 |
| Iupac Name | [(2R,3R,4S,5R)-2-hydroxy-5-[(2S,3R,4S,5R)-5-hydroxy-3,4-disulfooxyoxan-2-yl]oxy-3-sulfooxyoxan-4-yl] hydrogen sulfate |
| Prediction Hob | 0.0 |
| Class | Organooxygen compounds |
| Xlogp | -5.6 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C10H18O21S4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FCCNSUIJIOOXEZ-SJYYZXOBSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 10.0 |
| State | Solid |
| Synonyms | Cartrophen vet, CB 8061, Fibrase, Fibrezym, Hemoclar, Pentosan polysulfate, Pentosan sulfuric polyester, Polypentose sulfate, PZ 68, SP 54, Thrombocid, Xylan hydrogen sulfate, 9CI, Xylan polysulfate, Pentosan polysulfuric acid, Pentosan polysulphate, Pentosan polysulphuric acid, Polyester, pentosan sulfuric, SP 54, Tavan, 946, HOE-bay, Fibrocid, HOE bay 946, Polysulfate sodium, pentosan, Sulfate, xylan, Sulfuric polyester, pentosane, Polyester, pentosane sulfuric, Polysulfate, pentosan, Sodium, pentosan polysulfate, Xylan SP54, HOE-bay-946, Polysulphate sodium, pentosan, SP54, Xylan, Sulfuric polyester, pentosan, Xylan, polysulfated, Elmiron, PZ-68, Polysulfated xylan, Sodium, pentosan polysulphate, Xylan sulfate, BAY 946, BAY-946, HOE-bay 946, Pentosan polysulfate sodium, SP-54, Sulfate, polypentose, 54, Tavan SP, HOE 946, HOE-946, Pentosan polysulphate sodium, Pentosane sulfuric polyester, Tavan SP 54, [(2R,3R,4S,5R)-2-Hydroxy-5-{[(2S,3R,4S,5R)-5-hydroxy-3,4-bis(sulfooxy)oxan-2-yl]oxy}-4-(sulfooxy)oxan-3-yl]oxidanesulfonate, [(2R,3R,4S,5R)-2-Hydroxy-5-{[(2S,3R,4S,5R)-5-hydroxy-3,4-bis(sulphooxy)oxan-2-yl]oxy}-4-(sulphooxy)oxan-3-yl]oxidanesulphonate, [(2R,3R,4S,5R)-2-Hydroxy-5-{[(2S,3R,4S,5R)-5-hydroxy-3,4-bis(sulphooxy)oxan-2-yl]oxy}-4-(sulphooxy)oxan-3-yl]oxidanesulphonic acid |
| Compound Name | Pentosan Polysulfate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 601.922 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 601.922 |
| Hydrogen Bond Acceptor Count | 21.0 |
| Molecular Weight | 602.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Esol | 0.5998937999999984 |
| Inchi | InChI=1S/C10H18O21S4/c11-3-1-26-10(8(31-35(22,23)24)5(3)28-32(13,14)15)27-4-2-25-9(12)7(30-34(19,20)21)6(4)29-33(16,17)18/h3-12H,1-2H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)/t3-,4-,5+,6+,7-,8-,9-,10+/m1/s1 |
| Smiles | C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | O-glycosyl compounds |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Tamarindus Indica (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all