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Cloricromen

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Also known as: Cloricromene, 68206-94-0, 8-chlorocarbochromen, Cloricromen [inn], Proendotel, Ad-6

Molecular Formula

C₂₀H₂₆ClNO₅

Molecular Weight

395.9 g/mol

InChI Key

GYNNRVJJLAVVTQ-UHFFFAOYSA-N

FDA UNII

B9454PE93C

1 2D Structure

Cloricromen

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 2-[8-chloro-3-[2-(diethylamino)ethyl]-4-methyl-2-oxochromen-7-yl]oxyacetate

2.1.2 InChI

InChI=1S/C20H26ClNO5/c1-5-22(6-2)11-10-15-13(4)14-8-9-16(26-12-17(23)25-7-3)18(21)19(14)27-20(15)24/h8-9H,5-7,10-12H2,1-4H3

2.1.3 InChI Key

GYNNRVJJLAVVTQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCN(CC)CCC1=C(C2=C(C(=C(C=C2)OCC(=O)OCC)Cl)OC1=O)C

2.2 Other Identifiers

2.2.1 UNII

B9454PE93C

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 8-chloro-3-beta-diethylaminoethyl-4-methyl-7-ethyoxycarbonymethoxycoumarin

2. 8-chlorocarbochromen

3. 8-chlorocarbochromen Hydrochloride

4. 8-monochloro-3-beta-diethylaminoethyl-4-methyl-7-ethoxycarboxylmethoxycoumarin

5. Ad 6

6. Ad(6)

7. Ad6

8. Cloricromene

2.3.2 Depositor-Supplied Synonyms

1. Cloricromene

2. 68206-94-0

3. 8-chlorocarbochromen

4. Cloricromen [inn]

5. Proendotel

6. Ad-6

7. Acetic Acid, ((8-chloro-3-(2-(diethylamino)ethyl)-4-methyl-2-oxo-2h-1-benzopyran-7-yl)oxy)-, Ethyl Ester

8. B9454pe93c

9. Cloricromen (inn)

10. Ethyl ((8-chloro-3-(2-(diethylamino)ethyl)-4-methyl-2-oxo-2h-1-benzopyran-7-yl)oxy)acetate

11. Cloricromene [french]

12. Cloricromenum [latin]

13. Cloricromeno

14. Cloricromeno [spanish]

15. Cloricromenum

16. Ad 6 (pharmaceutical)

17. Ethyl [[8-chloro-3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-2h-1-benzopyran-7-yl]oxy]acetate

18. Ethyl 2-[8-chloro-3-[2-(diethylamino)ethyl]-4-methyl-2-oxochromen-7-yl]oxyacetate

19. Ncgc00165769-02

20. Unii-b9454pe93c

21. Cloricromen [mi]

22. Cloricromen [mart.]

23. Cloricromen [who-dd]

24. Schembl133346

25. Chembl255066

26. Dtxsid2048373

27. Chebi:135628

28. Zinc576842

29. Db13367

30. Ethyl 2-(8-chloro-3-(2-(diethylamino)ethyl)-4-methyl-2-oxo-2h-chromen-7-yloxy)acetate

31. Ncgc00165769-01

32. Db-055121

33. Ft-0603198

34. D07139

35. 206c940

36. Q5135145

37. O=c(occ)coc1=cc=c(c(o2)=c1cl)c(c)=c(ccn(cc)cc)c2=o

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₆ClNO₅
Molecular Weight	395.9 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	395.1499506 g/mol
Monoisotopic Mass	395.1499506 g/mol
Topological Polar Surface Area	65.1 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	561
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

Platelet Aggregation Inhibitors

Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. (See all compounds classified as Platelet Aggregation Inhibitors.)

4.2 ATC Code

B - Blood and blood forming organs

B01 - Antithrombotic agents

B01A - Antithrombotic agents

B01AC - Platelet aggregation inhibitors excl. heparin

B01AC02 - Cloricromen