Also known as: 1193314-23-6, Nitd609, Nitd 609, Nitd-609, Kae609, Cipargamin [inn]

Molecular Formula

C₁₉H₁₄Cl₂FN₃O

Molecular Weight

390.2 g/mol

InChI Key

CKLPLPZSUQEDRT-WPCRTTGESA-N

FDA UNII

Z7Q4FWA04P

Cipargamin has been used in trials studying the treatment of Malaria, Cure Rate, and Plasmodium Falciparum Malaria.

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3R,3'S)-5,7'-dichloro-6'-fluoro-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one

2.1.2 InChI

InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1

2.1.3 InChI Key

CKLPLPZSUQEDRT-WPCRTTGESA-N

2.1.4 Canonical SMILES

CC1CC2=C(C3(N1)C4=C(C=CC(=C4)Cl)NC3=O)NC5=CC(=C(C=C25)F)Cl

2.1.5 Isomeric SMILES

C[C@H]1CC2=C([C@]3(N1)C4=C(C=CC(=C4)Cl)NC3=O)NC5=CC(=C(C=C25)F)Cl

2.2 Other Identifiers

2.2.1 UNII

Z7Q4FWA04P

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Kae609

2. Nitd 609

3. Nitd-609

4. Nitd609

2.3.2 Depositor-Supplied Synonyms

1. 1193314-23-6

2. Nitd609

3. Nitd 609

4. Nitd-609

5. Kae609

6. Cipargamin [inn]

7. 1252008-89-1

8. Spiro[3h-indole-3,1'-[1h]pyrido[3,4-b]indol]-2(1h)-one, 5,7'-dichloro-6'-fluoro-2',3',4',9'-tetrahydro-3'-methyl-, (1'r,3's)-

9. Z7q4fwa04p

10. (3r,3's)-5,7'-dichloro-6'-fluoro-3'-methylspiro[1h-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one

11. Chembl1082723

12. Kae-609

13. (1'r,3's)-5,7'-dichloro-6'-fluoro-3'-methyl-2',3',4',9'-tetrahydrospiro[indoline-3,1'-pyrido[3,4-b]indol]-2-one

14. Rel-(1'r,3's)-5,7'-dichloro-6'-fluoro-3'-methyl-2',3',4',9'-tetrahydrospiro[indoline-3,1'-pyrido[3,4-b]indol]-2-one

15. Unii-z7q4fwa04p

16. Spiro(3h-indole-3,1'-(1h)pyrido(3,4-b)indol)-2(1h)-one, 5,7'-dichloro-6'-fluoro-2',3',4',9'-tetrahydro-3'-methyl-, (1'r,3's)-

17. Cipargamin [who-dd]

18. Gtpl9721

19. Schembl1306342

20. Dtxsid70152424

21. Bdbm50318666

22. Mfcd25976667

23. Zinc49037032

24. Cs-7486

25. Db12306

26. Nitd-609, (+)-

27. Ncgc00263785-01

28. As-51977

29. Hy-14430

30. P14044

31. Q6954404

32. (1'r,3's)-5,7'-dichloro-6'-fluoro-2',3',4',9'-tetrahydro-3'-methyl-spiro[3h-indole-3,1'-[1h]pyrido[3,4-b]indol]-2(1h)-one

33. (1'r,3's)-5,7'-dichloro-6'-fluoro-2',3',4',9'-tetrahydro-3'-methylspiro[3h-indole-3,1'-[1h]pyrido[3,4-b]indol]-2(1h)-one

34. (1r,3s)-5'',7-dichloro-6-fluoro-3-methyl-2,3,4,9-tetrahydrospiro-[beta-carboline-1,3''-indol]-2''(1''h)-one

35. (1r,3s)-5',7-dichloro-6-fluoro-3-methyl-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indoline]-2'-one

36. (1r,3s)-5,7-dichloro-6-fluoro-3-methyl-2,3,4,9-tetrahydrospiro[indoline-3,1-pyrido[3,4-b]indol]-2-one

2.4 Create Date

2009-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₄Cl₂FN₃O
Molecular Weight	390.2 g/mol
XLogP3	3.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	389.0497956 g/mol
Monoisotopic Mass	389.0497956 g/mol
Topological Polar Surface Area	56.9 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	609
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Cipargamin

Cipargamin

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