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Also known as: 78287-27-1, 7-ethyl camptothecin, (s)-4,11-diethyl-4-hydroxy-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4h,12h)-dione, 7-ethyl-20(s)-camptothecin, Lpy7fe51iw, (19s)-10,19-diethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
Molecular Formula
C22H20N2O4
Molecular Weight
376.4  g/mol
InChI Key
MYQKIWCVEPUPIL-QFIPXVFZSA-N
FDA UNII
LPY7FE51IW

CAS 78287-27-1
1 2D Structure

CAS 78287-27-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(19S)-10,19-diethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
2.1.2 InChI
InChI=1S/C22H20N2O4/c1-3-12-13-7-5-6-8-17(13)23-19-14(12)10-24-18(19)9-16-15(20(24)25)11-28-21(26)22(16,27)4-2/h5-9,27H,3-4,10-11H2,1-2H3/t22-/m0/s1
2.1.3 InChI Key
MYQKIWCVEPUPIL-QFIPXVFZSA-N
2.1.4 Canonical SMILES
CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=CC=CC=C51
2.1.5 Isomeric SMILES
CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=CC=CC=C51
2.2 Other Identifiers
2.2.1 UNII
LPY7FE51IW
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 78287-27-1

2. 7-ethyl Camptothecin

3. (s)-4,11-diethyl-4-hydroxy-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4h,12h)-dione

4. 7-ethyl-20(s)-camptothecin

5. Lpy7fe51iw

6. (19s)-10,19-diethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

7. (s)-4,11-diethyl-4-hydroxy-1h-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4h,12h)-dione

8. (19s)-10,19-diethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

9. 1h-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4h,12h)-dione, 4,11-diethyl-4-hydroxy-, (s)-

10. Mfcd06657922

11. 7-ethyl-camptothecin

12. (4s)-4,11-diethyl-4-hydroxy-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4h,12h)-dione

13. Unii-lpy7fe51iw

14. Schembl1005149

15. 7-ethylcamptothecin, Aldrichcpr

16. Dtxsid60228960

17. Chebi:191009

18. Myqkiwcvepupil-qfipxvfzsa-n

19. Amy24894

20. Hy-n2108

21. Bdbm50092821

22. S5111

23. Akos015909654

24. Ac-1267

25. Ccg-268367

26. Cs-o-30626

27. Ks-5291

28. Pd088243

29. 7-ethylcamptothecin [usp Impurity]

30. Cs-0018629

31. E0781

32. H11443

33. A865061

34. J-502459

35. (19s)-10,19-diethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

36. (r)-4-ethyl-4-methyl-1,4a,12,13a-tetrahydro-4h-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione

37. (s)-4,11-diethyl-4,9-dihydroxy-1,5,5a,12-tetrahydro-4h-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione

38. (s)-4,11-diethyl-4-hydroxy-1,12-dihydro-4h-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione

39. (s)-4,11-diethyl-4-hydroxy-1h-pyrano(3,4:6,7)indolizino(1,2-b)quin Oline-3,14(4h,12h)-dione

40. (s)-4,11-diethyl-4-hydroxy-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4h,12h)-dione (7-ethyl-20(s)-camptothecin)

41. 1h-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4h,12h)-dione, 4,11-diethyl-4-hydroxy-, (4s)-

42. 4,11-diethyl-4,9-dihydroxy-(4s)-3,4,12,14-tetrahydro-1h-pyrano[3'',4'':6,7]indolizino[1,2-b]quinoline-3,14-dione

43. 4,11-diethyl-4,9-dihydroxy-1,12-dihydro-4h-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione

44. 4,11-diethyl-4,9-dihydroxy-1,12-dihydro-4h-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (sn-38)

45. 4,11-diethyl-4-hydroxy-1,12-dihydro-4h-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 376.4 g/mol
Molecular Formula C22H20N2O4
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area79.7
Heavy Atom Count28
Formal Charge0
Complexity787
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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