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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 1804-47-3, Mefenamic acid sodium salt, Sodium;2-(2,3-dimethylanilino)benzoate, Sodium mefenamate, Mephenamic acid sodium salt, Ci-473 sodium salt

Molecular Formula

C₁₅H₁₄NNaO₂

Molecular Weight

263.27 g/mol

InChI Key

IMCFRCUCBHZBTN-UHFFFAOYSA-M

1 2D Structure

Sodium Mefenamate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;2-(2,3-dimethylanilino)benzoate

2.1.2 InChI

InChI=1S/C15H15NO2.Na/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);/q;+1/p-1

2.1.3 InChI Key

IMCFRCUCBHZBTN-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)[O-])C.[Na+]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1804-47-3

2. Mefenamic Acid Sodium Salt

3. Sodium;2-(2,3-dimethylanilino)benzoate

4. Sodium Mefenamate

5. Mephenamic Acid Sodium Salt

6. Ci-473 Sodium Salt

7. Sodium N-2,3-xylylanthranilate

8. N-2,3-xylylanthranilic Acid Sodium Salt

9. Mefenamic Acid Sodium

10. Benzoic Acid, 2-((2,3-dimethylphenyl)amino)-, Monosodium Salt

11. Mefenamic Acid Sodiumsalt

12. Anthranilic Acid, N-2,3-xylyl-, Monosodium Salt

13. Schembl10503020

14. Dtxsid10170960

15. Sodium N-(2,3-xylyl)anthranilate

16. Akos022902526

2.3 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₄NNaO₂
Molecular Weight	263.27 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	263.09222297 g/mol
Monoisotopic Mass	263.09222297 g/mol
Topological Polar Surface Area	52.2 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	298
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2