DBX

2,5-dihydroxybenzenesulfonic acid

Created:	2009-10-01
Last modified:	2011-06-04

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2 entries where DBX is found as a standalone ligand1 entries where DBX is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	6

2D diagram of DBX

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Chemical Component Summary
Name	2,5-dihydroxybenzenesulfonic acid
Systematic Name (OpenEye OEToolkits)	2,5-dihydroxybenzenesulfonic acid
Formula	C₆ H₆ O₅ S
Molecular Weight	190.174
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=S(=O)(O)c1cc(O)ccc1O
SMILES	CACTVS	3.352	Oc1ccc(O)c(c1)[S](O)(=O)=O
SMILES	OpenEye OEToolkits	1.7.0	c1cc(c(cc1O)S(=O)(=O)O)O
Canonical SMILES	CACTVS	3.352	Oc1ccc(O)c(c1)[S](O)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc(c(cc1O)S(=O)(=O)O)O
InChI	InChI	1.03	InChI=1S/C6H6O5S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,7-8H,(H,9,10,11)
InChIKey	InChI	1.03	IKQCSJBQLWJEPU-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB13529
Name	Dobesilic acid
Groups	experimental investigational
Synonyms	Calcium dobesilate Calcium dobesilate monohydrate Dobesilic acid
Categories	Antivaricose Therapy Arylsulfonates Arylsulfonic Acids Benzene Derivatives Benzenesulfonates Coagulants Hematologic Agents Hemostatics Sulfonic Acids Sulfur Acids Sulfur Compounds Vasoprotectives
ATC-Code	C05BX01 C05BX51
CAS number	88-46-0

Related Resource References

Resource Name	Reference
PubChem	17507
ChEMBL	CHEMBL1232131
ChEBI	CHEBI:71157
CCDC/CSD	HIRXOW, YEJVOC
COD	2216446

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.