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CAS 76801-85-9 manufacturers and suppliers on PharmaCompass

PharmaCompass
4LSP9FJT5B
Also known as: Azaerythromycin a, 76801-85-9, 6-demethylazithromycin, 9-deoxo-9a-aza-9a-homoerythromycin a, 4lsp9fjt5b, Azaerythromycin
Molecular Formula
C37H70N2O12
Molecular Weight
735.0  g/mol
InChI Key
HRKNNHYKWGYTEN-HOQMJRDDSA-N
FDA UNII
4LSP9FJT5B

1 2D Structure

4LSP9FJT5B

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
2.1.2 InChI
InChI=1S/C37H70N2O12/c1-14-26-37(10,45)30(41)23(6)38-18-19(2)16-35(8,44)32(51-34-28(40)25(39(11)12)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)31(42)24(7)48-27/h19-32,34,38,40-42,44-45H,14-18H2,1-13H3/t19-,20-,21+,22-,23-,24+,25+,26-,27+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
2.1.3 InChI Key
HRKNNHYKWGYTEN-HOQMJRDDSA-N
2.1.4 Canonical SMILES
CCC1C(C(C(NCC(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)O)(C)O)C)C)O)(C)O
2.1.5 Isomeric SMILES
CC[C@@H]1[C@@]([C@@H]([C@H](NC[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)O)(C)O)C)C)O)(C)O
2.2 Other Identifiers
2.2.1 UNII
4LSP9FJT5B
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 10-dihydro-10-deoxo-11-azaerythromycin A

2. Dd-azaerythromycin A

2.3.2 Depositor-Supplied Synonyms

1. Azaerythromycin A

2. 76801-85-9

3. 6-demethylazithromycin

4. 9-deoxo-9a-aza-9a-homoerythromycin A

5. 4lsp9fjt5b

6. Azaerythromycin

7. Desmethyl Azithromycin

8. Dd-azaerythromycin A

9. Unii-4lsp9fjt5b

10. 9-deoxo-9a-aza-9a-homo Erythromycin A Desmethyl Azithromycin

11. Desmethyl

12. Desmethyl-azithromycin

13. Azithromycin Impurity A

14. (desmethyl Azithromycin)

15. 10-dihydro-10-deoxo-11-azaerythromycin A

16. Ec 616-385-9

17. Schembl6920246

18. Chembl1222181

19. Dtxsid30998123

20. Azaerythromycin A [usp-rs]

21. 2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-c-methyl-3-o-methylhexopyranoside

22. Mfcd09038719

23. S4978

24. Zinc94303232

25. Akos025401474

26. Ccg-270420

27. Cs-1474

28. 9-deoxo-9a-aza-9a-homo Erythromycin A

29. (2r,3s,4r,5r,8r,10r,11r,12s,13s,14r)-11-(4-dimethylamino-3-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-2-ethyl-3,4,10-trihydroxy-13-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yloxy)-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one

30. Ac-18936

31. Hy-17442

32. 6-demethylazithromycin (azaerythromycin A)

33. Azithromycin Impurity A [ep Impurity]

34. 801a859

35. Q27260028

36. (2r,3s,4r,5r,8r,10r,11r,12s,13s,14r)-11-(((2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)-2-ethyl-3,4,10-trihydroxy-13-(((2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2h-pyran-2-yl)oxy)-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one

37. (2r,3s,4r,5r,8r,10r,11r,12s,13s,14r)-11-[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one

38. (2r,3s,4r,5r,8r,10r,11r,12s,13s,14r)-11-[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8

39. 1-oxa-6-azacyclopentadecan-15-one, 13-((2,6-dideoxy-3-c-methyl-3-o-methyl-alpha-l-ribo-hexopyranosyl)oxy)-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-11-((3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranosyl)oxy)-, (2r-(2r*,3s*,4r*,5r*,8r*,10r*,11r*,12s*,13s*,14r*))-

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 735.0 g/mol
Molecular Formula C37H70N2O12
XLogP33.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Exact Mass734.49287567 g/mol
Monoisotopic Mass734.49287567 g/mol
Topological Polar Surface Area189 Ų
Heavy Atom Count51
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Digital Content Digital Content
URL Supplier Web Content
76801-85-9
Azaerythromycin
Century Pharmaceuticals, established in 1982, has 40 years of experience in manufacturing APIs. It has be...
Century Pharmaceuticals, established in 1982, has 40 years of experience in manufacturing APIs. It has been supplying APIs produced in-house to several major pharma companies in India and abroad. Its APIs are manufactured in accordance with cGMP, 21CFR part 10 and ICH guidelines. It also produces intermediates and develops new APIs as per the needs of its clients. Century conducts biotechnological research that focuses on human therapeutic proteins. Currently, research is underway to find treatments for asthma, mastocytosis and basophilic leukemia. Century supplies research-grade biotech products and a wide range of animal health products.
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