Indomethacin

CAT: 0013-GTR19177043-02Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19177043-02Size:500 mg

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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 Number	53-86-1
PubChem CID	3715
IUPAC Name	2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
Molecular Formula	C19H16ClNO4
Molecular Weight	357.8
XLogP	4.3
Topological Polar Surface Area	68.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	506

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

CAS: 53-86-1

CID: 3715

Formula: C19H16ClNO4

MW: 357.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	357.8
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	357.0767857
Monoisotopic Mass	357.0767857
Topological Polar Surface Area	68.5 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	506
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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GTR19162099	Indometacin

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Catalog	Name
T0458-01	Indomethacin
112091	NO-Indomethacin

Indomethacin

Chemical Information

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