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    Eprinomectin

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    DIGITAL CONTENT

    MARKET PLACE

    REF. STANDARDS & IMPURITIES

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    2D Structure
    Also known as: Avermectin b1, 4''-(acetylamino)-4''-deoxy-, (4''r)-, Unii-75kp30fd8o, 75kp30fd8o, Eprinomectin [usan:usp:inn], Zinc306122586, Db11405
    Molecular Formula
    C49H73NO14
    Molecular Weight
    900.1  g/mol
    InChI Key
    WPNHOHPRXXCPRA-TVXIRPTOSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[(2S,3R,4R,6S)-6-[(2S,3R,4S,6R)-6-[(1'R,2R,3S,4'S,6S,8'R,10'Z,12'S,13'S,14'Z,16'Z,20'R,21'R,24'S)-21',24'-dihydroxy-3,11',13',22'-tetramethyl-2'-oxo-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-12'-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]acetamide
    2.1.2 InChI
    InChI=1S/C49H73NO14/c1-25(2)43-28(5)17-18-48(64-43)23-35-20-34(63-48)16-15-27(4)44(26(3)13-12-14-33-24-57-46-42(52)29(6)19-36(47(53)60-35)49(33,46)54)61-40-22-38(56-11)45(31(8)59-40)62-39-21-37(55-10)41(30(7)58-39)50-32(9)51/h12-15,17-19,25-26,28,30-31,34-46,52,54H,16,20-24H2,1-11H3,(H,50,51)/b13-12-,27-15-,33-14-/t26-,28-,30-,31-,34+,35-,36-,37+,38-,39-,40-,41+,42+,43+,44-,45+,46+,48+,49+/m0/s1
    2.1.3 InChI Key
    WPNHOHPRXXCPRA-TVXIRPTOSA-N
    2.1.4 Canonical SMILES
    CC1C=CC=C2COC3C2(C(C=C(C3O)C)C(=O)OC4CC(CC=C(C1OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)NC(=O)C)OC)OC)C)OC7(C4)C=CC(C(O7)C(C)C)C)O
    2.1.5 Isomeric SMILES
    C[C@H]1/C=C\C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(\[C@H]1O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@H]([C@@H]([C@@H](O6)C)NC(=O)C)OC)OC)/C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C(C)C)C)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 4''-epi-methylamino-4''-deoxyavermectin B1

    2. 4''-epiacetylamino-4''-deoxyavermectin B1

    3. 4''-epiacetylamino-4''-deoxyavermectin B1, (4''r)-isomer

    4. Avermectin B1, 4''-(acetylamino)-4''-deoxy-, (4''r)-

    5. Emamectin

    6. Gwn-1972

    7. Mk 243

    8. Mk-243

    2.2.2 Depositor-Supplied Synonyms

    1. Avermectin B1, 4''-(acetylamino)-4''-deoxy-, (4''r)-

    2. Unii-75kp30fd8o

    3. 75kp30fd8o

    4. Eprinomectin [usan:usp:inn]

    5. Zinc306122586

    6. Db11405

    7. A Mixture Of Two Components Having A Ratio Of 90% Or More Of Epinometin Component B1a And 10% Or Less Of Eprinometin Component B1b

    8. A Mixture Of Two Components Having A Ratio Of 90% Or More Of Eprinomectin Component B1a And 10% Or Less Of Eprinomectin Component B1b

    9. N-[(2s,3r,4r,6s)-6-[(2s,3r,4s,6r)-6-[(1'r,2r,3s,4's,6s,8'r,10'z,12's,13's,14'z,16'z,20'r,21'r,24's)-21',24'-dihydroxy-3,11',13',22'-tetramethyl-2'-oxo-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-12'-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]acetamide

    2.3 Create Date
    2006-04-29
    3 Chemical and Physical Properties
    Molecular Weight 900.1 g/mol
    Molecular Formula C49H73NO14
    XLogP33.5
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count14
    Rotatable Bond Count8
    Exact Mass899.50310600 g/mol
    Monoisotopic Mass899.50310600 g/mol
    Topological Polar Surface Area179 Ų
    Heavy Atom Count64
    Formal Charge0
    Complexity1830
    Isotope Atom Count0
    Defined Atom Stereocenter Count19
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count3
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Insecticides

    Pesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics. (See all compounds classified as Insecticides.)