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Epsilon-Acetamidocaproic Acid Zinc Salt

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Chemistry

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Also known as: Zinc acexamate, 70020-71-2, Zinc;6-acetamidohexanoate, 811d513q1n, Hexanoic acid, 6-(acetylamino)-, zinc salt (2:1), Copinal

Molecular Formula

C₁₆H₂₈N₂O₆Zn

Molecular Weight

409.8 g/mol

InChI Key

GEVJDDLLVRRIOL-UHFFFAOYSA-L

FDA UNII

811D513Q1N

1 2D Structure

Epsilon-Acetamidocaproic Acid Zinc Salt

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

zinc;6-acetamidohexanoate

2.1.2 InChI

InChI=1S/2C8H15NO3.Zn/c2*1-7(10)9-6-4-2-3-5-8(11)12;/h2*2-6H2,1H3,(H,9,10)(H,11,12);/q;;+2/p-2

2.1.3 InChI Key

GEVJDDLLVRRIOL-UHFFFAOYSA-L

2.1.4 Canonical SMILES

CC(=O)NCCCCCC(=O)[O-].CC(=O)NCCCCCC(=O)[O-].[Zn+2]

2.2 Other Identifiers

2.2.1 UNII

811D513Q1N

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 6-(acetylamino)hexanoic Acid

2. 6-acetamidohexanoic Acid

3. 6-acetylaminocaproic Acid

4. 6-acetylaminocaproic Acid, Calcium Salt

5. 6-acetylaminocaproic Acid, Monosodium Salt

6. Acexamic Acid

7. Celuton

8. Cy168e

9. Epsilon-acetylaminocaproic Acid

10. N-acetylamino-6-hexanoic Acid

11. Nas-501

12. Plastenan

13. Sodium Acexamate

14. Zinc Acexamate

2.3.2 Depositor-Supplied Synonyms

1. Zinc Acexamate

2. 70020-71-2

3. Zinc;6-acetamidohexanoate

4. 811d513q1n

5. Hexanoic Acid, 6-(acetylamino)-, Zinc Salt (2:1)

6. Copinal

7. Unii-811d513q1n

8. Copinal (tn)

9. Acexamate Zinc

10. Zinc 6-(acetylamino)hexanoate (2:1)

11. Schembl1643738

12. Acexamate Zinc [who-dd]

13. Dtxsid20220304

14. Zinc Acexamate [ep Monograph]

15. Zinc N-(acetylamino)-6-hexanoate

16. Db-082106

17. Ft-0687297

18. D07558

19. .epsilon.-acetamidocaproic Acid Zinc Salt

20. .epsilon.-acetamidocaproic Acid Zinc Salt [mi]

21. Q27269190

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₈N₂O₆Zn
Molecular Weight	409.8 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	408.123878 g/mol
Monoisotopic Mass	408.123878 g/mol
Topological Polar Surface Area	139 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	151
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	3

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Anti-Inflammatory Agents, Non-Steroidal

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects. (See all compounds classified as Anti-Inflammatory Agents, Non-Steroidal.)

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