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Molecule
Meclofenamate Sodium
CAS: 6385-02-0 · C14H11Cl2NNaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6385-02-0
- Molecular Formula
- C14H11Cl2NNaO2
- Molecular Mass
- 319.14 g/mol
Identifiers
CAS Registry Number
6385-02-0
SMILES
Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl.[Na]
InChI Key
MFQMZIAYWCPXGM-UHFFFAOYSA-N
InChI
InChI=1S/C14H11Cl2NO2.Na/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19;/h2-7,17H,1H3,(H,18,19);
Names and Synonyms
- Meclofenamate Sodium Common Name
- Benzoic acid, 2-[(2,6-dichloro-3-methylphenyl)amino]-, sodium salt (1:1) Synonym
- Anthranilic acid, N-(2,6-dichloro-m-tolyl)-, monosodium salt Synonym
- Benzoic acid, 2-[(2,6-dichloro-3-methylphenyl)amino]-, monosodium salt Synonym
- Sodium meclophenamate Synonym
- Sodium meclofenamate Synonym
- Sodium N-(2,6-dichloro-m-tolyl)anthranilate Synonym
- N-(2,6-Dichloro-m-tolyl)anthranilic acid sodium salt Synonym
- Meclomen Synonym
- CI 583 Synonym
- Meclofenamate sodium Synonym
- Meclofenamic acid sodium salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 319.14 g/mol | CAS Common Chemistry |
| 319.14300000000003 g/mol | RDKit | |
| 319.143 g/mol | RDKit | |
| 320.145 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C(O)C=1C=CC=CC1NC=2C(Cl)=CC=C(C2Cl)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H11Cl2NO2.Na/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19;/h2-7,17H,1H3,(H,18,19); | CAS Common Chemistry |
| InChI Key | InChIKey=MFQMZIAYWCPXGM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 287-291 °C | CAS Common Chemistry |
| Name | Meclofenamate sodium | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 49.33 Ų | RDKit |
| LogP | 4.362820000000003 | RDKit |
| 4.3628 | RDKit | |
| Molar Refractivity | 83.63700000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0714 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 318.00645323200007 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 319.14 g/mol. Edit any field — others recompute live.
