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    Technical details about DSSTox_CID_3650, learn more about the structure, uses, toxicity, action, side effects and more

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    DSSTox_CID_3650

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: 2611-61-2, Thiamphenicol glycinate hcl, 88vgc22bwe, Thiophenicolglycinatehydrochloride, Tpg hydrochloride, Neomyson g hydrochloride
    Molecular Formula
    C14H19Cl3N2O6S
    Molecular Weight
    449.7  g/mol
    InChI Key
    DKXJDBJNAXSJDH-MHDYBILJSA-N
    FDA UNII
    88VGC22BWE
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] 2-aminoacetate;hydrochloride
    2.1.2 InChI
    InChI=1S/C14H18Cl2N2O6S.ClH/c1-25(22,23)9-4-2-8(3-5-9)12(20)10(7-24-11(19)6-17)18-14(21)13(15)16;/h2-5,10,12-13,20H,6-7,17H2,1H3,(H,18,21);1H/t10-,12-;/m1./s1
    2.1.3 InChI Key
    DKXJDBJNAXSJDH-MHDYBILJSA-N
    2.1.4 Canonical SMILES
    CS(=O)(=O)C1=CC=C(C=C1)C(C(COC(=O)CN)NC(=O)C(Cl)Cl)O.Cl
    2.1.5 Isomeric SMILES
    CS(=O)(=O)C1=CC=C(C=C1)[C@H]([C@@H](COC(=O)CN)NC(=O)C(Cl)Cl)O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    88VGC22BWE
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Thiamphenicol Glycinate

    2. Thiamphenicol Glycinate Monohydrochloride, (r-(r*,r*))-isomer

    2.3.2 Depositor-Supplied Synonyms

    1. 2611-61-2

    2. Thiamphenicol Glycinate Hcl

    3. 88vgc22bwe

    4. Thiophenicolglycinatehydrochloride

    5. Tpg Hydrochloride

    6. Neomyson G Hydrochloride

    7. Thiamphenicol Glycinate (hydrochloride)

    8. (2r,3r)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-methanesulfonylphenyl)propyl 2-aminoacetate Hydrochloride

    9. Urfamicin Hydrochloride

    10. Thiamphenicol Glycinate

    11. [(2r,3r)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] 2-aminoacetate;hydrochloride

    12. 2-[(dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulphonyl)phenyl]propyl [r-(r*,r*)]aminoacetate Monohydrochloride

    13. Neomyson G Hcl

    14. 2-((dichloroacetyl)amino)-3-hydroxy-3-(4-(methylsulphonyl)phenyl)propyl (r-(r*,r*))aminoacetate Monohydrochloride

    15. Thiamphenicol Aminoacetate Hydrochloride (jan)

    16. Thiamphenicol Aminoacetate Hydrochloride [jan]

    17. Thiophenicol Glycinate Hydrochloride

    18. Ncgc00167498-01

    19. Einecs 220-033-6

    20. Unii-88vgc22bwe

    21. Urfamycin (tn)

    22. Dsstox_cid_3650

    23. Dsstox_rid_77128

    24. Thiamphenicol Glycinate, Hcl

    25. Dsstox_gsid_23650

    26. Mls006010912

    27. Chembl2356696

    28. Dtxsid6023650

    29. Act07701

    30. Tox21_112499

    31. Mfcd03093731

    32. Akos024255724

    33. Ks-5331

    34. Glycine, Alpha-ester With D-threo-(+)-2,2-dichloro-n-(beta-hydroxy-alpha-(hydroxymethyl)-p-(methylsulfonyl)phenethyl)acetamide, Hydrochloride

    35. Smr004701782

    36. Cas-2611-61-2

    37. Hy-132282

    38. Cs-0182820

    39. D08583

    40. 611t612

    41. A818178

    42. J-016259

    43. Q27269962

    44. Thiamphenicol Aminoacetate Hydrochloride [who-dd]

    45. (2r,3r)-2-[(dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl Glycinate Hydrochloride

    46. [(2r,3r)-2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-methylsulfonylphenyl)-3-oxidanyl-propyl] 2-azanylethanoate Hydrochloride

    47. 2-[(dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulphonyl)phenyl]propyl[r-(r*,r*)]aminoacetate Monohydrochloride

    48. 2-aminoacetic Acid [(2r,3r)-2-[(2,2-dichloro-1-oxoethyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] Ester Hydrochloride

    49. Glycine, (2r,3r)-2-((2,2-dichloroacetyl)amino)-3-hydroxy-3-(4-(methylsulfonyl)phenyl)propyl Ester, Hydrochloride (1:1)

    50. Glycine,(2r,3r)-2-[(dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulfonyl)phenyl]propyl Ester, Monohydrochloride

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 449.7 g/mol
    Molecular Formula C14H19Cl3N2O6S
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count9
    Exact Mass448.002941 g/mol
    Monoisotopic Mass448.002941 g/mol
    Topological Polar Surface Area144 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity558
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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