SN 22

Synopsis, Chemistry

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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, Sn 22, Sn-22, Lpy7fe51iw

Molecular Formula

C₂₂H₂₀N₂O₄

Molecular Weight

376.4 g/mol

InChI Key

MYQKIWCVEPUPIL-QFIPXVFZSA-N

FDA UNII

LPY7FE51IW

1 2D Structure

SN-22

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 MeSH Synonyms

1. Sn 22

2. Sn-22

2.3.2 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. Sn 22

5. Sn-22

6. Lpy7fe51iw

7. 7-ethyl-20(s)-camptothecin

8. (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

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

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

11. (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

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

13. Mfcd06657922

14. 7-ethyl-camptothecin

15. Unii-lpy7fe51iw

16. Schembl1005149

17. 7-ethylcamptothecin, Aldrichcpr

18. Dtxsid60228960

19. Chebi:191009

20. Myqkiwcvepupil-qfipxvfzsa-n

21. Amy24894

22. Hy-n2108

23. Bdbm50092821

24. S5111

25. Akos015909654

26. Ac-1267

27. Ccg-268367

28. Cs-o-30626

29. Ks-5291

30. Pd088243

31. 7-ethylcamptothecin [usp Impurity]

32. Cs-0018629

33. E0781

34. H11443

35. A865061

36. J-502459

37. (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

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

39. (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

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

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

42. (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)

43. 1h-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4h,12h)-dione, 4,11-diethyl-4-hydroxy-, (4s)-

44. 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

45. 4,11-diethyl-4,9-dihydroxy-1,12-dihydro-4h-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione

46. 4,11-diethyl-4,9-dihydroxy-1,12-dihydro-4h-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (sn-38)

47. 4,11-diethyl-4-hydroxy-1,12-dihydro-4h-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione

2.3.3 Other Synonyms

1. Sn-22

2. Sn 22

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₀N₂O₄
Molecular Weight	376.4 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	79.7
Heavy Atom Count	28
Formal Charge	0
Complexity	787
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1