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Draflazine

Draflazine

Synopsis, Chemistry

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Also known as: 120770-34-5, R-75231, (s)-draflazine, 1-[2-(4-amino-2,6-dichloroanilino)-2-oxoethyl]-4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide, R 75231, R75231

Molecular Formula

C₃₀H₃₃Cl₂F₂N₅O₂

Molecular Weight

604.5 g/mol

InChI Key

IWMYIWLIESDFRZ-UHFFFAOYSA-N

FDA UNII

0Y25DT968Y

1 2D Structure

Draflazine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[2-(4-amino-2,6-dichloroanilino)-2-oxoethyl]-4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide

2.1.2 InChI

InChI=1S/C30H33Cl2F2N5O2/c31-25-15-23(35)16-26(32)29(25)37-28(40)18-39-14-13-38(17-27(39)30(36)41)12-2-1-3-24(19-4-8-21(33)9-5-19)20-6-10-22(34)11-7-20/h4-11,15-16,24,27H,1-3,12-14,17-18,35H2,(H2,36,41)(H,37,40)

2.1.3 InChI Key

IWMYIWLIESDFRZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(C(CN1CCCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)N)CC(=O)NC4=C(C=C(C=C4Cl)N)Cl

2.2 Other Identifiers

2.2.1 UNII

0Y25DT968Y

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-aminocarbonyl-n-(4-amino-2,6-dichlorophenyl)-4-(5,5-bis(4-fluorophenyl)-pentyl)-1-piperazineacetamide

2. R 75 231

3. R 75231

4. R 88 016

5. R 88016

6. R-75231

7. R-88016

8. R75231

2.3.2 Depositor-Supplied Synonyms

1. 120770-34-5

2. R-75231

3. (s)-draflazine

4. 1-[2-(4-amino-2,6-dichloroanilino)-2-oxoethyl]-4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide

5. R 75231

6. R75231

7. 0y25dt968y

8. R-70380

9. Draflazinum

10. R70380

11. Draflazina

12. Draflazinum [inn-latin]

13. Draflazina [inn-spanish]

14. Draflazine [usan:inn:ban]

15. Unii-0y25dt968y

16. Draflazine [inn]

17. Draflazine (usan/inn)

18. Draflazine [usan]

19. (+-)-4'-amino-4-(5,5-bis(p-fluorophenyl)pentyl)-2-carbamoyl-2',6'-dichloro-1-piperazineacetanilide

20. 1-piperazineacetamide, 2-(aminocarbonyl)-n-(4-amino-2,6-dichlorophenyl)-4-(5,5-bis(4-fluorophenyl)pentyl)-

21. Schembl215826

22. Gtpl4590

23. Chembl1628717

24. Dtxsid60869655

25. Benzenemethanesulfonylchloride, 2-methyl-

26. 1-piperazineacetamide, 2-(aminocarbonyl)-n-(4-amino-2,6-dichlorophenyl)-4-(5,5-bis(4-fluorophenyl)pentyl)-,(+-)-

27. Db-057830

28. Hy-106841

29. Cs-0026695

30. Ft-0743995

31. D03906

32. Q27077112

33. (+/-)-2-(aminocarbonyl)-n-(4-amino-2,6-dichlorophenyl)-4-(5,5-bis(4-fluorophenyl)pentyl)-1-piperazine-acetamide

34. (+/-)-4'-amino-4-(5,5-bis(p-fluorophenyl)pentyl)-2-carbamoyl-2',6'-dichloro-1-piperazineacetanilide

35. 1-{[(4-amino-2,6-dichlorophenyl)carbamoyl]methyl}-4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide

36. 1-piperazineacetamide, 2-(aminocarbonyl)-n-(4-amino-2,6-dichlorophenyl)-4-(5,5-bis(4-fluorophenyl)pentyl)-, (+/-)-

37. 2-(aminocarbonyl)-n-(4-amino-2,6-dichlorophenyl)-4-(5,5-bis(4-fluorophenyl)pentyl)-1-piperazineacetamide

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₃₀H₃₃Cl₂F₂N₅O₂
Molecular Weight	604.5 g/mol
XLogP3	5.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Exact Mass	603.1979370 g/mol
Monoisotopic Mass	603.1979370 g/mol
Topological Polar Surface Area	105 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	810
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Cardiotonic Agents

Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE). (See all compounds classified as Cardiotonic Agents.)

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.)