Dantron

Dantron
Clinical data
Routes of; administration	Oral, rectal (enema)
ATC code	A06AB03 (WHO) A06AG03 (WHO);
Identifiers
	IUPAC name 1,8-dihydroxyanthracene-9,10-dione;
CAS Number	117-10-2 ;
PubChem CID	2950;
DrugBank	DB04816 ;
ChemSpider	2845 ;
UNII	Z4XE6IBF3V;
KEGG	D07107 ;
ChEBI	CHEBI:3682 ;
ChEMBL	ChEMBL53418 ;
NIAID ChemDB	001375;
CompTox Dashboard (EPA)	DTXSID9020328 ;
ECHA InfoCard	100.003.794
Chemical and physical data
Formula	C14H8O4
Molar mass	240.214 g·mol−1
3D model (JSmol)	Interactive image;
Density	1.575 g/cm3 g/cm3
	SMILES O=C2c1cccc(O)c1C(=O)c3c2cccc3O;
	InChI 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 ; Key:QBPFLULOKWLNNW-UHFFFAOYSA-N ;
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Dantron (INN), also known as chrysazin or 1,8-dihydroxyanthraquinone, is an orange-colored organic substance. Many structurally-related compounds are known.^[1] In terms of its molecular structure, it is related anthraquinone by the replacement of two hydrogen atoms by hydroxyl groups (–OH). It is used in some countries as a stimulant laxative.

It should not be confused with ondansetron, an unrelated drug that was marketed in South Africa under the trade name "Dantron".

^ Rohl AL, Moret M, Kaminsky W, Claborn K, McKinnon JJ, Kahr B (2008). "Hirshfeld Surfaces Identify Inadequacies in Computations of Intermolecular Interactions in Crystals: Pentamorphic 1,8-Dihydroxyanthraquinone". Crystal Growth & Design. 8 (12): 4517–4525. doi:10.1021/cg8005212.

[1] Rohl AL, Moret M, Kaminsky W, Claborn K, McKinnon JJ, Kahr B (2008). "Hirshfeld Surfaces Identify Inadequacies in Computations of Intermolecular Interactions in Crystals: Pentamorphic 1,8-Dihydroxyanthraquinone". Crystal Growth & Design. 8 (12): 4517–4525. doi:10.1021/cg8005212.

[1]

Clinical data


Routes of administration	Oral, rectal (enema)
ATC code	A06AB03 (WHO) A06AG03 (WHO)
Identifiers
IUPAC name 1,8-dihydroxyanthracene-9,10-dione
CAS Number	117-10-2^Y
PubChem CID	2950
DrugBank	DB04816^N
ChemSpider	2845^Y
UNII	Z4XE6IBF3V
KEGG	D07107^N
ChEBI	CHEBI:3682^N
ChEMBL	ChEMBL53418^N
NIAID ChemDB	001375
CompTox Dashboard (EPA)	DTXSID9020328
ECHA InfoCard	100.003.794
Chemical and physical data
Formula	C₁₄H₈O₄
Molar mass	240.214 g·mol⁻¹
3D model (JSmol)	Interactive image
Density	1.575 g/cm³ g/cm³
SMILES O=C2c1cccc(O)c1C(=O)c3c2cccc3O
InChI 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^N Key:QBPFLULOKWLNNW-UHFFFAOYSA-N^N
^NY (what is this?) (verify)