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    Amphotericin B cholesteryl sulfate

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    2D Structure
    Also known as: Amphotericin b cholesteryl sulfate, 120895-52-5, 774x4698x3, Dtxsid50153055, Refchem:199573, Dtxcid8075546
    Molecular Formula
    C74H119NO21S
    Molecular Weight
    1390.8  g/mol
    InChI Key
    PCTMTFRHKVHKIS-BMFZQQSSSA-N
    FDA UNII
    774X4698X3
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid;[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
    2.1.2 InChI
    InChI=1S/C47H73NO17.C27H46O4S/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56;1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60);9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+;/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+;19-,21+,22+,23-,24+,25+,26+,27-/m01/s1
    2.1.3 InChI Key
    PCTMTFRHKVHKIS-BMFZQQSSSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    774X4698X3
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Amphotericin B Cholesteryl Sulfate

    2. 120895-52-5

    3. 774x4698x3

    4. Dtxsid50153055

    5. Refchem:199573

    6. Dtxcid8075546

    7. Unii-774x4698x3

    8. Abcd

    9. Schembl3669433

    10. Hy-125606

    11. Amphotericin B Cholesteryl Sulfate [vandf]

    12. Q27266548

    13. Amphotericin B Compd With Cholesteryl Sulfate [mi]

    14. Amphotericin B Compd With (3.beta.)-cholest-5-en-3-yl Hydrogen Sulfate (1:1

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 1390.8 g/mol
    Molecular Formula C74H119NO21S
    Hydrogen Bond Donor Count13
    Hydrogen Bond Acceptor Count22
    Rotatable Bond Count10
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area392
    Heavy Atom Count97
    Formal Charge0
    Complexity2480
    Isotope Atom Count0
    Defined Atom Stereocenter Count27
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count7
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Amebicides

    Agents which are destructive to amebae, especially the parasitic species causing AMEBIASIS in man and animal.

    Antifungal Agents

    Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.

    Antiprotozoal Agents

    Substances that are destructive to protozoans.

    Anti-Bacterial Agents

    Substances that inhibit the growth or reproduction of BACTERIA.

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