Diacerein EP Impurity C

CAT: 1299-RM-D011803-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D011803-01Size:10 mg

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CAS Number

478-43-3

Synonyms

4,5-Dihydroxyanthraquinone-2-carboxylic acid

Molecular Formula

C15H8O6

Molecular Weight

284.22

Target Alternative Name

Diacerein

Product Name Synonym

4,5-Dihydroxyanthraquinone-2-carboxylic acid

Chemical Information

Rhein

Rhein is a dihydroxyanthraquinone.

CAS Number	478-43-3
PubChem CID	10168
IUPAC Name	4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid
Molecular Formula	C15H8O6
Molecular Weight	284.22
XLogP	2.2
Topological Polar Surface Area	112
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	487

SMILES

C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O

InChI

InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)

InChIKey

FCDLCPWAQCPTKC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 478-43-3

CID: 10168

Formula: C15H8O6

MW: 284.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	284.22
XLogP3	2.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	284.03208797
Monoisotopic Mass	284.03208797
Topological Polar Surface Area	112 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	487
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-D011809-01	Diacerein EP Impurity F
RM-D011810-01	Diacerein EP Impurity G
RM-D011808-01	Diacerein EP Impurity H
RM-D011802-01	Diacerein EP Impurity B
RM-D011804-01	Diacerein EP Impurity D
RM-D011805-01	Diacerein EP Impurity E
RM-D011819-01	Diacerein EP Impurity F (Racemic)
RM-D011801-01	Diacerein Impurity 1
RM-D011826-01	Diacerein Impurity 26
RM-D011822-01	Diacerein Impurity 22