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Indomethacin sodium

CAT: 0931-T61606-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T61606-01Size:25 mg
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CAS Number
7681-54-1
Target
Others
Related Pathways
Others
Bioactivity
Indomethacin sodium is a potent and orally active COX-1/2 inhibitor with IC50 values of 18 nM and 26 nM, respectively. It possesses anti-inflammatory, anticancer, and anti-infective activities and is widely used in research on cancer, inflammation, and viral infections. Additionally, it can be used to establish gastric ulcer animal models.
Smiles
[Na+].COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC([O-])=O)c2c1
Molecular Formula
C19H15ClNNaO4
Molecular Weight
379.77
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Indomethacin Sodium

Indomethacin Sodium is the sodium salt of indomethacin, a methylated indole derivative with anti-inflammatory, analgesic-antipyretic and tocolytic effects. Indomethacin is a non-selective, reversible, and competitive inhibitor of cyclooxygenases 1 and 2, thereby blocking the conversion of arachidonic acid into prostaglandin precursors. Consequently, prostaglandin synthesis is decreased, and prostaglandin-mediated activities are prevented, including pain, inflammation, fever and uterine contraction.

CAS Number7681-54-1
PubChem CID23675763
IUPAC Namesodium 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
Molecular FormulaC19H15ClNNaO4
Molecular Weight379.8
Topological Polar Surface Area71.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity512
SMILES
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)[O-].[Na+]
InChI
InChI=1S/C19H16ClNO4.Na/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);/q;+1/p-1
InChIKey
JMHRGKDWGWORNU-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Indomethacin Sodium
CAS: 7681-54-1
CID: 23675763
Formula: C19H15ClNNaO4
MW: 379.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass379.0587299
Monoisotopic Mass379.0587299
Topological Polar Surface Area71.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity512
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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