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03JLX11PE9

03JLX11PE9

Synopsis, Chemistry

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Also known as: Aminaftone, Aminaphthone, 14748-94-8, Aminaphtone, (1,4-dihydroxy-3-methylnaphthalen-2-yl) 4-aminobenzoate, 03jlx11pe9

Molecular Formula

C₁₈H₁₅NO₄

Molecular Weight

309.3 g/mol

InChI Key

YLMPBJUYFTWHKJ-UHFFFAOYSA-N

FDA UNII

03JLX11PE9

Aminaftone has been investigated for the treatment of Cockett Syndrome, May-Thurner Syndrome, and Iliac Vein Obstruction.

1 2D Structure

03JLX11PE9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1,4-dihydroxy-3-methylnaphthalen-2-yl) 4-aminobenzoate

2.1.2 InChI

InChI=1S/C18H15NO4/c1-10-15(20)13-4-2-3-5-14(13)16(21)17(10)23-18(22)11-6-8-12(19)9-7-11/h2-9,20-21H,19H2,1H3

2.1.3 InChI Key

YLMPBJUYFTWHKJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C2=CC=CC=C2C(=C1OC(=O)C3=CC=C(C=C3)N)O)O

2.2 Other Identifiers

2.2.1 UNII

03JLX11PE9

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Aminaftone

2. Aminaphthone

3. Capilarema

4. Capillarema

2.3.2 Depositor-Supplied Synonyms

1. Aminaftone

2. Aminaphthone

3. 14748-94-8

4. Aminaphtone

5. (1,4-dihydroxy-3-methylnaphthalen-2-yl) 4-aminobenzoate

6. 03jlx11pe9

7. Capilarema

8. Unii-03jlx11pe9

9. Capillarema

10. Menatriol

11. Capillarema (tn)

12. Einecs 238-809-8

13. Aminonaphthone

14. Aminaphthone [mart.]

15. Aminaphtone [who-dd]

16. Schembl12157532

17. Dtxsid00163725

18. Chebi:135317

19. Zinc5419379

20. Cs-6667

21. Db13039

22. Hy-19890

23. D07566

24. 3-methyl-1,2,4-naphthalenetriol-2-(4-aminobenzoate)

25. Q17620495

26. 1,2,4-naphthalenetriol, 3-methyl-, 2-(4-aminobenzoate)

27. 1,2,4-naphthalenetriol, 3-methyl-, 2-(p-aminobenzoate)

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₅NO₄
Molecular Weight	309.3 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	309.10010796 g/mol
Monoisotopic Mass	309.10010796 g/mol
Topological Polar Surface Area	92.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	421
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	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Hemostatics

Agents acting to arrest the flow of blood. Absorbable hemostatics arrest bleeding either by the formation of an artificial clot or by providing a mechanical matrix that facilitates clotting when applied directly to the bleeding surface. These agents function more at the capillary level and are not effective at stemming arterial or venous bleeding under any significant intravascular pressure. (See all compounds classified as Hemostatics.)