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    Narasin

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    MARKET PLACE

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Narasin a, Compound 79891, Monteban, 55134-13-9, Antibiotic a-28086 factor a, Antibiotic c 7819b
    Molecular Formula
    C43H72O11
    Molecular Weight
    765.0  g/mol
    InChI Key
    VHKXXVVRRDYCIK-CWCPJSEDSA-N
    FDA UNII
    DZY9VU539P
    narasin is a natural product found in Kitasatospora aureofaciens with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R)-2-[(2R,3S,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl]butanoic acid
    2.1.2 InChI
    InChI=1S/C43H72O11/c1-12-30(35(46)27(8)34(45)28(9)36-23(4)21-24(5)37(51-36)31(13-2)39(47)48)38-25(6)22-26(7)42(52-38)18-15-32(44)43(54-42)20-19-40(11,53-43)33-16-17-41(49,14-3)29(10)50-33/h15,18,23-34,36-38,44-45,49H,12-14,16-17,19-22H2,1-11H3,(H,47,48)/t23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,36+,37+,38-,40-,41+,42-,43-/m0/s1
    2.1.3 InChI Key
    VHKXXVVRRDYCIK-CWCPJSEDSA-N
    2.1.4 Canonical SMILES
    CCC(C1C(CC(C(O1)C(C)C(C(C)C(=O)C(CC)C2C(CC(C3(O2)C=CC(C4(O3)CCC(O4)(C)C5CCC(C(O5)C)(CC)O)O)C)C)O)C)C)C(=O)O
    2.1.5 Isomeric SMILES
    CC[C@H]([C@H]1[C@H](C[C@@H]([C@@H](O1)[C@@H](C)[C@@H]([C@H](C)C(=O)[C@H](CC)[C@@H]2[C@H](C[C@H]([C@]3(O2)C=C[C@H]([C@@]4(O3)CC[C@@](O4)(C)[C@H]5CC[C@@]([C@@H](O5)C)(CC)O)O)C)C)O)C)C)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    DZY9VU539P
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-methylsalinomycin

    2. Narasin A

    3. Narasin Monosodium Salt

    2.3.2 Depositor-Supplied Synonyms

    1. Narasin A

    2. Compound 79891

    3. Monteban

    4. 55134-13-9

    5. Antibiotic A-28086 Factor A

    6. Antibiotic C 7819b

    7. Antibiotic A 28086a

    8. Salinomycin, 4-methyl-, (4s)-

    9. Lilly 79891

    10. 4-methylsalinomycin

    11. C-7819b

    12. Dzy9vu539p

    13. Narasine

    14. Narasino

    15. Narasinum

    16. Compd-79891

    17. C 7819b

    18. Salinomycin, 4-methyl-, (4s)

    19. Monteban (tn)

    20. Narasine [inn-french]

    21. Narasinum [inn-latin]

    22. Narasino [inn-spanish]

    23. Narasin (usp/inn)

    24. (2r)-2-[(2r,3s,5s,6r)-6-[(2s,3s,4s,6r)-6-[(3s,5s,7r,9s,10s,12r,15r)-3-[(2r,5r,6s)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl]butanoic Acid

    25. Unii-dzy9vu539p

    26. Brn 1678311

    27. Ai3-29798

    28. Narasin [usan:usp:inn:ban]

    29. Narasin 100 Microg/ml In Acetonitrile

    30. Ncgc00167550-01

    31. 2h-pyran-2-acetic Acid, Alpha-ethyl-6-(5-(2-(5-ethyltetrahydro-5-hydroxy-6-methyl-2h-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro(4.1.5.3)pentadec-13-en-9-yl)-2-hydroxy-1,3-dimethyl-4-oxoheptyl)tetrahydro-3,5-dimethyl-

    32. Narasin [usan]

    33. Narasin [inn]

    34. Narasin [mi]

    35. Narasin [mart.]

    36. Narasin [usp-rs]

    37. Dsstox_cid_26707

    38. Dsstox_rid_81840

    39. Dsstox_gsid_46707

    40. Narasin [green Book]

    41. Alpha-ethyl-6-(5-(2-(5-ethyltetrahydro-5-hydroxy-6-methyl-2h-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro(4.1.5.3)pentadec-13-en-9-yl)-2-hydroxy-1,3-dimethyl-4-oxoheptyl)tetrahydro-3,5-dimethyl-2h-pyran-2-acetic Acid

    42. Schembl123401

    43. Narasin [usp Impurity]

    44. Chembl2104423

    45. Dtxsid2046707

    46. Gtpl10835

    47. Chebi:183815

    48. Tox21_112545

    49. Zinc85540282

    50. Db11432

    51. Ncgc00167550-06

    52. Ncgc00167550-08

    53. Cas-55134-13-9

    54. Hy-121410

    55. Cs-0081972

    56. D05122

    57. Q2104314

    58. (2r)-2-[(2r,3s,5s,6r)-6-[(2s,3s,4s,6r)-6-[(3s,5s,7r,9s,10s,12r,15r)-3-[(2r,5r,6s)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 765.0 g/mol
    Molecular Formula C43H72O11
    XLogP36.2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count12
    Exact Mass764.50746311 g/mol
    Monoisotopic Mass764.50746311 g/mol
    Topological Polar Surface Area161 Ų
    Heavy Atom Count54
    Formal Charge0
    Complexity1360
    Isotope Atom Count0
    Defined Atom Stereocenter Count19
    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

    Anti-Bacterial Agents

    Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)

    Coccidiostats

    Agents useful in the treatment or prevention of COCCIDIOSIS in man or animals. (See all compounds classified as Coccidiostats.)