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Mefenamic Acid-d3 (major)

CAT: 0572-TRC-M205052-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M205052-25MGSize:25 mg
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CAS Number
1189707-81-0
Synonyms
2-[(2,3-Dimethylphenyl)amino]-benzoic Acid-d3; Mefacit-d3; Mefenacid-d3; Mephenamic Acid-d3;
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CC1=C(C([2H])([2H])[2H])C=CC=C1NC2=CC=CC=C2C(O)=O
Molecular Formula
C15H12D3NO2
Molecular Weight
244.3
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Mefenamic Acid-d3
CAS Number1189707-81-0
PubChem CID45039685
IUPAC Name2-[2-methyl-3-(trideuteriomethyl)anilino]benzoic acid
Molecular FormulaC15H15NO2
Molecular Weight244.30
XLogP5.1
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity292
SMILES
[2H]C([2H])([2H])C1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C
InChI
InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)/i1D3
InChIKey
HYYBABOKPJLUIN-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of Mefenamic Acid-d3
CAS: 1189707-81-0
CID: 45039685
Formula: C15H15NO2
MW: 244.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.30
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass244.129108959
Monoisotopic Mass244.129108959
Topological Polar Surface Area49.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity292
Isotope Atom Count3
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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