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ACTIVE PHARMA INGREDIENTS

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Cohance Belotecan Popup

Synopsis

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Chemistry

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Also known as: Camtobell, 256411-32-2, Belotecan [inn], Belotecan free base, Ckd 602, 27z82m2g1n

Molecular Formula

C₂₅H₂₇N₃O₄

Molecular Weight

433.5 g/mol

InChI Key

LNHWXBUNXOXMRL-VWLOTQADSA-N

FDA UNII

27Z82M2G1N

Belotecan has been investigated for the treatment of Epithelial Ovarian Cancer.

1 2D Structure

Belotecan

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(19S)-19-ethyl-19-hydroxy-10-[2-(propan-2-ylamino)ethyl]-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/C25H27N3O4/c1-4-25(31)19-11-21-22-17(12-28(21)23(29)18(19)13-32-24(25)30)15(9-10-26-14(2)3)16-7-5-6-8-20(16)27-22/h5-8,11,14,26,31H,4,9-10,12-13H2,1-3H3/t25-/m0/s1

2.1.3 InChI Key

LNHWXBUNXOXMRL-VWLOTQADSA-N

2.1.4 Canonical SMILES

CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)CCNC(C)C)O

2.1.5 Isomeric SMILES

CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)CCNC(C)C)O

2.2 Other Identifiers

2.2.1 UNII

27Z82M2G1N

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 7-(2-(n-isopropylamino)ethyl)camptothecin

2. Belotecan Hydrochloride

3. Ckd 602

4. Ckd-602

5. Ckd602

2.3.2 Depositor-Supplied Synonyms

1. Camtobell

2. 256411-32-2

3. Belotecan [inn]

4. Belotecan Free Base

5. Ckd 602

6. 27z82m2g1n

7. 256411-32-2 (free Base)

8. (4s)-4-ethyl-4-hydroxy-11-(2-(isopropylamino)ethyl)-1,12-dihydro-14h-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4h)-dione

9. Ckd602

10. (s)-4-ethyl-4-hydroxy-11-[2-(isopropylamino)ethyl]-3,4,12,14-tetrahydro-1h-pyrano[3',4'

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

12. Unii-27z82m2g1n

13. Belotecan [mi]

14. Belotecan [mart.]

15. Belotecan [who-dd]

16. Schembl18983

17. Chembl2111084

18. Dtxsid60180332

19. Chebi:135702

20. Bcp08118

21. Ex-a5717

22. Zinc3826691

23. Db12459

24. Hy-13566

25. Cs-0007189

26. 411c322

27. Q4884574

28. (19s)-19-ethyl-19-hydroxy-10-[2-(propan-2-ylamino)ethyl]-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

29. (4s)-11-[2-(isopropylamino)ethyl]-4-hydroxy-4-ethyl-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4h,12h)-dione

30. (4s)-4-ethyl-4-hydroxy-11-(2-((1-methylethyl)amino)ethyl)-1,12-dihydro-14h-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4h)-dione

31. 1h-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4h,12h)-dione, 4-ethyl-4-hydroxy-11-(2-((1-methylethyl)amino)ethyl)-, (4s)-

2.4 Create Date

2006-04-29

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₂₇N₃O₄
Molecular Weight	433.5 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	433.20015635 g/mol
Monoisotopic Mass	433.20015635 g/mol
Topological Polar Surface Area	91.8 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	865
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

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Topoisomerase I Inhibitors

Compounds that inhibit the activity of DNA TOPOISOMERASE I. (See all compounds classified as Topoisomerase I Inhibitors.)

4.2 ATC Code

L - Antineoplastic and immunomodulating agents

L01 - Antineoplastic agents

L01C - Plant alkaloids and other natural products

L01CE - Topoisomerase 1 (top1) inhibitors

L01CE04 - Belotecan

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Belotecan

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