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    Belotecan

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    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

    2D Structure

    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 Weight 433.5 g/mol
    Molecular Formula C25H27N3O4
    XLogP31.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count5
    Exact Mass433.20015635 g/mol
    Monoisotopic Mass433.20015635 g/mol
    Topological Polar Surface Area91.8 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity865
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    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