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Indomethacin

CAT: 0013-GTR19177043-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19177043-01Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Indomethacin
CAS Number
53-86-1
Product Name Alternative
COX-2, COX-1, COX, Cyclooxygenase, anticancer, anti-infective, Autophagy, Inhibitor, PDE2, inhibit, Indocin, inflammation, Indometacin, Indometacine, Indomethacin, Indomethacine, PLA2
Field of Research
Cell Biology, Immunology & Inflammation, Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Purity
99.27% (May vary between batches)
Solubility
Ethanol:17.9 mg/mL (50.03 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.58 mg/mL (10.01 mM) ; DMSO:104 mg/mL (290.67 mM)
Smiles
COC1=CC2=C (C=C1) N (C (=O) C1=CC=C (Cl) C=C1) C (C) =C2CC (O) =O
Molecular Formula
C19H16ClNO4
Molecular Weight
357.79
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Indomethacin

Indometacin is a member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis. It has a role as a non-steroidal anti-inflammatory drug, an analgesic, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor, a xenobiotic, a gout suppressant, a drug metabolite, a xenobiotic metabolite and an environmental contaminant. It is a member of indole-3-acetic acids, an aromatic ether, a N-acylindole and a member of monochlorobenzenes.

CAS Number53-86-1
PubChem CID3715
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
Molecular FormulaC19H16ClNO4
Molecular Weight357.8
XLogP4.3
Topological Polar Surface Area68.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity506
SMILES
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
InChI
InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
InChIKey
CGIGDMFJXJATDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Indomethacin
CAS: 53-86-1
CID: 3715
Formula: C19H16ClNO4
MW: 357.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.8
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass357.0767857
Monoisotopic Mass357.0767857
Topological Polar Surface Area68.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity506
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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