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    Erythromycin Propionate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 142Xls

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    2D Structure
    Also known as: 134-36-1, Propionylerythromycin, Erythromycin, 2'-propanoate, Erythromycin 2'-propionate, Erythromycin 2'-propanoate, Erythromycin, 2'-propionate
    Molecular Formula
    C40H71NO14
    Molecular Weight
    790.0  g/mol
    InChI Key
    TYQXKHPOXXXCTP-CSLYCKPJSA-N
    FDA UNII
    HB75CIT999
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] propanoate
    2.1.2 InChI
    InChI=1S/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-/m1/s1
    2.1.3 InChI Key
    TYQXKHPOXXXCTP-CSLYCKPJSA-N
    2.1.4 Canonical SMILES
    CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)CC)(C)O)C)C)O)(C)O
    2.1.5 Isomeric SMILES
    CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)OC(=O)CC)(C)O)C)C)O)(C)O
    2.2 Other Identifiers
    2.2.1 UNII
    HB75CIT999
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Propionyl Eryhthromycin

    2.3.2 Depositor-Supplied Synonyms

    1. 134-36-1

    2. Propionylerythromycin

    3. Erythromycin, 2'-propanoate

    4. Erythromycin 2'-propionate

    5. Erythromycin 2'-propanoate

    6. Erythromycin, 2'-propionate

    7. Erythromycin A 2'-propanoate

    8. Erythromycin Propionate [usan]

    9. Monopropionylerythromycin

    10. Hb75cit999

    11. Chebi:48913

    12. [(2s,3r,4s,6r)-4-(dimethylamino)-2-[[(3r,4s,5s,6r,7r,9r,11r,12r,13s,14r)-14-ethyl-7,12,13-trihydroxy-4-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] Propanoate

    13. Dsstox_cid_2994

    14. Dsstox_rid_76822

    15. Dsstox_gsid_22994

    16. Erythromycin Propionate (usan)

    17. (3r,4s,5s,6r,7r,9r,11r,12r,13s,14r)-4-(2,6-dideoxy-3-c-methyl-3-o-methyl-alpha-l-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-2-o-propanoyl-beta-d-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione

    18. Cas-134-36-1

    19. Unii-hb75cit999

    20. Einecs 205-140-8

    21. Erythromycin-estolate

    22. Spectrum_001189

    23. Spectrum2_001435

    24. Spectrum3_001465

    25. Spectrum4_000434

    26. Spectrum5_001157

    27. Ncgc00094921-01

    28. Erythromycinpropionate

    29. Erythromycin 2''-propionate

    30. Bspbio_002989

    31. Kbiogr_000788

    32. Kbioss_001669

    33. Divk1c_000009

    34. Schembl153012

    35. Spbio_001570

    36. Chembl2220427

    37. Dtxsid9022994

    38. Kbio1_000009

    39. Kbio2_001669

    40. Kbio2_004237

    41. Kbio2_006805

    42. Kbio3_002489

    43. Ninds_000009

    44. Erythromycin Propionate [mi]

    45. Tox21_113189

    46. Zinc87496183

    47. Tox21_113189_1

    48. Erythromycin Propionate [who-dd]

    49. Idi1_000009

    50. Ncgc00179619-06

    51. Sbi-0051676.p002

    52. D02525

    53. Ab00053610_02

    54. Sr-01000872590

    55. Sr-01000872590-1

    56. Brd-k39746403-084-01-5

    57. Q27121386

    58. Erythromycin, 2'-(3r*,4s*,5s*,6r*,7r*,9r*,11r*,12r*,13s*,14r*)-4-((2,6-dideoxy-3-c-methyl-3-o-methyl-alpha-l-ribo-hexopyranosyl)oxy)-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-6-((2- Propanoate-3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl)oxy)oxacyclotetradecane-2,10-dione

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 790.0 g/mol
    Molecular Formula C40H71NO14
    XLogP33.7
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count15
    Rotatable Bond Count10
    Exact Mass789.48745594 g/mol
    Monoisotopic Mass789.48745594 g/mol
    Topological Polar Surface Area200 Ų
    Heavy Atom Count55
    Formal Charge0
    Complexity1300
    Isotope Atom Count0
    Defined Atom Stereocenter Count18
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1