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Indomethacin-d4 Methyl Ester

CAT: 1459-CS-T-98645Size: 1 EachDry Ice: NoHazardous: No
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Description
Indomethacin-d4 Methyl Ester is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Indomethacin. The product is supplied by Clearsynth under CAT No. CS-T-98645. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Labelled selective COX-2 inhibitor
CAS Number
1217064-61-3
Synonyms
Indomethacin-d4 Methyl Ester
Molecular Formula
C 20 H 14 D 4 ClNO 4
Molecular Weight
375.84
Additionnal Information
Indomethacin-d4 Methyl Ester is supplied with detailed characterization data compliant with regulatory guideline. Indomethacin-d4 Methyl Ester can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Indomethacin.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Labelled selective COX-2 inhibitor
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Indomethacin-d4 Methyl Ester
CAS Number1217064-61-3
PubChem CID46781960
IUPAC Namemethyl 2-[1-(4-chloro-2,3,5,6-tetradeuteriobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
Molecular FormulaC20H18ClNO4
Molecular Weight375.8
XLogP4.6
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity520
SMILES
[2H]C1=C(C(=C(C(=C1C(=O)N2C(=C(C3=C2C=CC(=C3)OC)CC(=O)OC)C)[2H])[2H])Cl)[2H]
InChI
InChI=1S/C20H18ClNO4/c1-12-16(11-19(23)26-3)17-10-15(25-2)8-9-18(17)22(12)20(24)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3/i4D,5D,6D,7D
InChIKey
OKHORWCUMZIORR-UGWFXTGHSA-N
Chemical Structure
2D Structure
2D structure of Indomethacin-d4 Methyl Ester
CAS: 1217064-61-3
CID: 46781960
Formula: C20H18ClNO4
MW: 375.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.8
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass375.1175427
Monoisotopic Mass375.1175427
Topological Polar Surface Area57.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity520
Isotope Atom Count4
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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