pentosan polysulfate (Q7165276)

DrugBank

17 November 2015

601.922342 dalton

1 reference

pentosan polysulfate (English)

4 October 2016

chemical formula

C₁₀H₁₈O₂₁S₄

1 reference

pentosan polysulfate (English)

4 October 2016

canonical SMILES

C1C(C(C(C(O1)OC2COC(C(C2OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O

1 reference

pentosan polysulfate (English)

4 October 2016

isomeric 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

1 reference

pentosan polysulfate (English)

4 October 2016

1 reference

14 February 2018

1 reference

Medical Subject Headings

15 March 2018

C1755

1 reference

UNII

F59P8B75R4

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

14 February 2018

Identifiers

InChI

1 reference

pentosan polysulfate (English)

FCCNSUIJIOOXEZ-SJYYZXOBSA-N

4 October 2016

InChIKey

1 reference

pentosan polysulfate (English)

4 October 2016

2 references

Pentosan Polysulfate (English)

4 October 2016

14 February 2018

1 reference

4-O-(2,3-Di-O-sulfo-beta-D-xylopyranosyl)-2,3-di-O-sulfo-beta-D-xylopyranose (English)

4 October 2016

1 reference

pentosan polysulfate (English)

4 October 2016

ChEBI ID

184555

mapping relation type

exact match

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

ChEBI release 2022-06-13

1 reference

1 reference

DSSTOX compound identifier

0 references

Pentosan Sulfuric Polyester

0 references

0 references

0 references

1 reference

14 February 2018

1 reference

Pentosan Polysulfate (English)

Human Metabolome Database ID

4 October 2016

HMDB0014824

1 reference

based on heuristic

inferred from InChIKey

2 references

Pentosan Polysulfate (English)

4 October 2016

UNII

F59P8B75R4