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Salsalate - Bio-X TM

CAT: 0926-BS300124Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-BS300124Size:100 mg
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CAS Number
552-94-3
Synonyms
Salicylic acid salicylate;2-Hydroxybenzoic acid 2-carboxyphenyl ester
Smiles
C1=CC=C (C (=C1) C (=O) OC2=CC=CC=C2C (=O) O) O
Molecular Formula
C14H10O5
Molecular Weight
258.23 g/mol
Controlled
No

Chemical Information

Salsalate

Salsalate is a dimeric benzoate ester obtained by intermolecular condensation between the carboxy of one molecule of salicylic acid with the phenol group of a second. It is a prodrug for salycylic acid that is used for treatment of rheumatoid arthritis and osteoarthritis and also shows activity against type II diabetes. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, a hypoglycemic agent, an antineoplastic agent, an EC 3.5.2.6 (beta-lactamase) inhibitor, an antirheumatic drug and a prodrug. It is a member of benzoic acids, a member of salicylates, a member of phenols and a benzoate ester. It is functionally related to a salicylic acid.

CAS Number552-94-3
PubChem CID5161
IUPAC Name2-(2-hydroxybenzoyl)oxybenzoic acid
Molecular FormulaC14H10O5
Molecular Weight258.23
XLogP3
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity341
SMILES
C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)O
InChI
InChI=1S/C14H10O5/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17/h1-8,15H,(H,16,17)
InChIKey
WVYADZUPLLSGPU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Salsalate
CAS: 552-94-3
CID: 5161
Formula: C14H10O5
MW: 258.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.23
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass258.05282342
Monoisotopic Mass258.05282342
Topological Polar Surface Area83.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity341
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

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Alternative Products

CatalogName
TRC-S095700-50MGSalsalate
166476Salsalate-d4
TRC-S095702-2.5MGSalsalate-d8
GTR19268610-01Salsalate-CoA
HY-B1245R-01Salsalate (Standard)
045269-01Salsalate (NSC 49171)
TRC-S095705-50MGSalsalate Acyl Glucuronide
474194TAK 285 - Bio-X
TRC-S095710-100MGSalsalate Phenolic Glucuronide
289101-01Salsalate discontinued. See 045269

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