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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
Names and Synonyms:
Meclofenamate Sodium
Benzoic acid, 2-[(2,6-dichloro-3-methylphenyl)amino]-, sodium salt (1:1)
Anthranilic acid, N-(2,6-dichloro-m-tolyl)-, monosodium salt
Benzoic acid, 2-[(2,6-dichloro-3-methylphenyl)amino]-, monosodium salt
Sodium meclophenamate
Sodium meclofenamate
Sodium N-(2,6-dichloro-m-tolyl)anthranilate
N-(2,6-Dichloro-m-tolyl)anthranilic acid sodium salt
Meclomen
CI 583
Meclofenamate sodium
Meclofenamic acid sodium salt
Identifiers:
SMILES:
Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl.[Na]
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);
Key Properties
Melting Point
287-291 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 319.14 g/mol | CAS Common Chemistry |
| 319.14300000000003 g/mol | RDKit | |
| 318.00645323200007 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 83.63700000000003 | RDKit |
