CHZ

1,8-dihydroxyanthracene-9,10-dione

Created: 2009-06-08
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count0
Bond Count28
Aromatic Bond Count12
2D diagram of CHZ
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Chemical Component Summary

Name1,8-dihydroxyanthracene-9,10-dione
SynonymsChrysazin
Systematic Name (OpenEye OEToolkits)1,8-dihydroxyanthracene-9,10-dione
FormulaC14 H8 O4
Molecular Weight240.211
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C2c1cccc(O)c1C(=O)c3c2cccc3O
SMILESCACTVS3.341Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12
SMILESOpenEye OEToolkits1.5.0c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O
Canonical SMILESCACTVS3.341 Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O
InChIInChI1.03 InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H
InChIKeyInChI1.03 QBPFLULOKWLNNW-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB04816 
NameDantron
Groups
  • approved
  • withdrawn
  • investigational
DescriptionWithdrawn from the Canadian, US, and UK markets in 1998 due to genotoxicity.
Synonyms
  • Danthron
  • 1,8-Dihydroxyanthrachinon
  • 1,8-dihydroxyanthra-9,10-quinone
  • 1,8-dihydroxy-9,10-anthracenedione
  • Dantron
Brand Names
  • Regulex D Cap
  • Doss Tab
Categories
  • Alimentary Tract and Metabolism
  • Anthracenes
  • Contact Laxatives
  • Drugs for Constipation
  • Enemas
ATC-Code
  • A06AB53
  • A06AB03
  • A06AG03
CAS number117-10-2

Drug Targets

NameTarget SequencePharmacological ActionActions
Serum albuminMKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIA...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 2950
ChEMBL CHEMBL53418
ChEBI CHEBI:3682
CCDC/CSD DHANQU01, MANVEF, DHANQU04, DHANQU06, DHANQU03, DHANQU02, DHANQU05, DHANQU07, XABSAX
COD 2242247, 2206708, 4503805, 4503807, 4503804, 4503803, 4503806, 4503808, 1520670, 4503809