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Anirolac

CAT: 0931-T25088-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T25088-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
66635-85-6
Target
Endogenous Metabolite, Others
Related Pathways
Metabolism, Others
Bioactivity
Anirolac is a nonsteroidal anti-inflammatory agent.
Smiles
O=C(O)C1C2=CC=C(C(=O)C3=CC=C(OC)C=C3)N2CC1
Molecular Formula
C16H15NO4
Molecular Weight
285.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Anirolac
CAS Number66635-85-6
PubChem CID47975
IUPAC Name5-(4-methoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
Molecular FormulaC16H15NO4
Molecular Weight285.29
XLogP1.9
Topological Polar Surface Area68.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity417
SMILES
COC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCC3C(=O)O
InChI
InChI=1S/C16H15NO4/c1-21-11-4-2-10(3-5-11)15(18)14-7-6-13-12(16(19)20)8-9-17(13)14/h2-7,12H,8-9H2,1H3,(H,19,20)
InChIKey
HEOZYYOUKGGSBJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anirolac
CAS: 66635-85-6
CID: 47975
Formula: C16H15NO4
MW: 285.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.29
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass285.10010796
Monoisotopic Mass285.10010796
Topological Polar Surface Area68.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity417
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5774826Anirolac

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