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Chemistry

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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

Thiamphenicol Glycinate
1 2D Structure

Thiamphenicol Glycinate

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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