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    Chemistry

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    Also known as: 57103-68-1, Zwj9a2aj2u, Nsc-239386, Refchem:156011, 950-267-0, Unii-zwj9a2aj2u
    Molecular Formula
    C28H37ClN2O8
    Molecular Weight
    565.1  g/mol
    InChI Key
    QWPXBEHQFHACTK-RZKXNLMUSA-N
    FDA UNII
    ZWJ9A2AJ2U
    Maytansinol
    has antineoplastic activity; structure in first source
    1 2D Structure

    Maytansinol

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaene-8,23-dione
    2.1.2 InChI
    InChI=1S/C28H37ClN2O8/c1-15-8-7-9-22(37-6)28(35)14-20(38-26(34)30-28)16(2)25-27(3,39-25)21(32)13-23(33)31(4)18-11-17(10-15)12-19(36-5)24(18)29/h7-9,11-12,16,20-22,25,32,35H,10,13-14H2,1-6H3,(H,30,34)/b9-7+,15-8+/t16-,20+,21+,22-,25+,27+,28+/m1/s1
    2.1.3 InChI Key
    QWPXBEHQFHACTK-RZKXNLMUSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    ZWJ9A2AJ2U
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 57103-68-1

    2. Zwj9a2aj2u

    3. Nsc-239386

    4. Refchem:156011

    5. 950-267-0

    6. Unii-zwj9a2aj2u

    7. Ansamitocin P-0

    8. 3-o-de(2-(acetylmethylamino)-1-oxopropyl)maytansine

    9. Mfcd28144515

    10. (14s,16s,32s,33s,2r,4s,10e,12e,14r)-86-chloro-14,4-dihydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-diene-12,6-dione

    11. Maytansine, 3-o-de(2-(acetylmethylamino)-1-oxopropyl)-

    12. (1s,2r,3s,5s,6s,16e,18e,20r,21s)-11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaene-8,23-dione

    13. C28h37cln2o8

    14. Ansamitocin P 0

    15. Ansamitocin P 0; Antibiotic C 15003p0; Nsc 239386; 3-o-de[2-(acetylmethylamino)-1-oxopropyl]maytansine

    16. Maytansinol; Ansamitocin P-0

    17. Maytansinol(ansamitocin P-0)?

    18. Schembl13558643

    19. Qwpxbehqfhactk-rzkxnlmusa-n

    20. Ex-a2656

    21. Cs-5322

    22. Fm44850

    23. Hy-19474

    24. 3-o-de[2-[methyl(acetyl)amino]-1-oxopropyl]maytansine

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 565.1 g/mol
    Molecular Formula C28H37ClN2O8
    XLogP31.5
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count2
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area130
    Heavy Atom Count39
    Formal Charge0
    Complexity993
    Isotope Atom Count0
    Defined Atom Stereocenter Count7
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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