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Chemistry

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Also known as: Eusynthomycin, Madomicetina, Levomycetin stearate, 16255-48-4, Dl2a9m9d6x, Chloroamphenicol stearate

Molecular Formula

C₂₉H₄₆Cl₂N₂O₆

Molecular Weight

589.6 g/mol

InChI Key

IDWDXHQLOMJDRU-XNMGPUDCSA-N

FDA UNII

DL2A9M9D6X

1 2D Structure

Eusynthomycin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] octadecanoate

2.1.2 InChI

InChI=1S/C29H46Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(34)39-22-25(32-29(36)28(30)31)27(35)23-18-20-24(21-19-23)33(37)38/h18-21,25,27-28,35H,2-17,22H2,1H3,(H,32,36)/t25-,27-/m1/s1

2.1.3 InChI Key

IDWDXHQLOMJDRU-XNMGPUDCSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(C(C1=CC=C(C=C1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl

2.1.5 Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H]([C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl

2.2 Other Identifiers

2.2.1 UNII

DL2A9M9D6X

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Eusynthomycin

2. Madomicetina

3. Levomycetin Stearate

4. 16255-48-4

5. Dl2a9m9d6x

6. Chloroamphenicol Stearate

7. Chloramphenicol Monostearate

8. (2r,3r)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl Stearate

9. Chloroamphenicol Stearic Acid Ester

10. Einecs 240-363-4

11. Unii-dl2a9m9d6x

12. Brn 2797487

13. Stearic Acid, Ester With Chloramphenicol

14. Quemicetina (tn)

15. 2,2-dichloro-n-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenethyl)acetamide Alpha-stearate

16. 4-13-00-02754 (beilstein Handbook Reference)

17. Octadecanoic Acid, 2-((dichloroacetyl)amino)-3-hydroxy-3-(4-nitrophenyl)propyl Ester, (r-(r*,r*))-

18. Schembl10791882

19. Dtxsid20167407

20. Chebi:177426

21. Zinc8214522

22. (-)-chloramphenicol Stearate

23. Akos005267198

24. (r-(r*,r*))-2-((dichloroacetyl)amino)-3-hydroxy-3-(4-nitrophenyl)propyl Stearate

25. [(2r,3r)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] Octadecanoate

26. Chloramphenicol Stearate [who-dd]

27. Chloramphenicol Stearic Acid Ester

28. Octadecanoic Acid, (2r,3r)-2-((dichloroacetyl)amino)-3-hydrdoxy-3-(4-nitrophenyl)propyl Ester

29. Stearic Acid, Alpha-ester With D-threo-(-)-2,2-dichloro-n-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenethyl)acetamide

30. D07674

31. Q27276455

32. (2r,3r)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl Stearate

33. Octadecanoic Acid (2r,3r)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl Ester

34. Octadecanoic Acid, (2r,3r)-2-((2,2-dichloroacetyl)amino)-3-hydroxy-3-(4-nitrophenyl)propyl Ester

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₉H₄₆Cl₂N₂O₆
Molecular Weight	589.6 g/mol
XLogP3	10.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	23
Exact Mass	588.2732926 g/mol
Monoisotopic Mass	588.2732926 g/mol
Topological Polar Surface Area	121 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	669
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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