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Diacerein EP Impurity B

CAT: 1299-RM-D011802-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D011802-01Size:10 mg
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CAS Number
481-72-1
Synonyms
1,8-Dihydroxy-3- (hydroxymethyl) anthraquinone
Molecular Formula
C15H10O5
Molecular Weight
270.24
Target Alternative Name
Diacerein
Product Name Synonym
1,8-Dihydroxy-3- (hydroxymethyl) anthraquinone

Chemical Information

Aloe emodin

Aloe emodin is a dihydroxyanthraquinone that is chrysazin carrying a hydroxymethyl group at position 3. It has been isolated from plant species of the genus Aloe. It has a role as an antineoplastic agent and a plant metabolite. It is an aromatic primary alcohol and a dihydroxyanthraquinone. It is functionally related to a chrysazin.

CAS Number481-72-1
PubChem CID10207
IUPAC Name1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione
Molecular FormulaC15H10O5
Molecular Weight270.24
XLogP1.8
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity420
SMILES
C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO
InChI
InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2
InChIKey
YDQWDHRMZQUTBA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aloe emodin
CAS: 481-72-1
CID: 10207
Formula: C15H10O5
MW: 270.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.24
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass270.05282342
Monoisotopic Mass270.05282342
Topological Polar Surface Area94.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity420
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

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AR-R01472-01Diacerein EP Impurity F
AR-R01473-01Diacerein EP Impurity G
AR-R01471-01Diacerein EP Impurity D
AR-E01234-01Diacerein EP Impurity H
AR-D06045-01Diacerein EP Impurity E
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