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Auranofin

CAT: 1410-M14154-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M14154-02Size:10 mg
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Description
Auranofin is an antirheumatic agent, is used to treat rheumatoid arthritis.
CAS Number
34031-32-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
678.48
Molecular Formula
C20H34AuO9PS
Notes
Research use only, not for human use.
Receptor
TrxR

Chemical Information

Auranofin

Auranofin can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number34031-32-8
PubChem CID16667669
IUPAC Namegold(1+);(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate;triethylphosphane
Molecular FormulaC20H34AuO9PS
Molecular Weight678.5
Topological Polar Surface Area115
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Heavy Atom Count32
Formal Charge0
Complexity532
SMILES
CCP(CC)CC.CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au+]
InChI
InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/q;;+1/p-1/t10-,11-,12+,13-,14+;;/m1../s1
InChIKey
AUJRCFUBUPVWSZ-XTZHGVARSA-M
Chemical Structure
2D Structure
2D structure of Auranofin
CAS: 34031-32-8
CID: 16667669
Formula: C20H34AuO9PS
MW: 678.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight678.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Exact Mass678.132686
Monoisotopic Mass678.132686
Topological Polar Surface Area115 Ų
Heavy Atom Count32
Formal Charge0
Complexity532
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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