AG005I8G

76801-85-9 | 9-Deoxo-9a-aza-9a-homo Erythromycin A Desmethyl Azithromycin

AG005I8G

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CAS Number	76801-85-9
Catalog Number	AG005I8G(AGN-PC-0UAKCF)
Chemical Name	9-Deoxo-9a-aza-9a-homo Erythromycin A Desmethyl Azithromycin
EC Number	616-385-9
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
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
InChI Key	HRKNNHYKWGYTEN-HOQMJRDDSA-N
MDL Number	MFCD09038719
Molecular Formula	C37H70N2O12
Molecular Weight	734.9579
SMILES	O([C@H]1[C@H](C)[C@@H](O[C@H]2[C@H](O)[C@@H](N(C)C)C[C@@H](C)O2)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)[C@H]3C[C@](OC)(C)[C@@H](O)[C@H](C)O3
UNII	4LSP9FJT5B
Synonyms	10-dihydro-10-deoxo-11-azaerythromycin A, DD-AZAERYTHROMYCIN A, Azathramycin, Azaerythromycin A, 76801-85-9, UNII-4LSP9FJT5B, DESMETHYL AZITHROMYCIN, 6-Demethylazithromycin, 4LSP9FJT5B, 9-Deoxo-9a-aza-9a-homoerythromycin A, Azaerythromycin, DD-Azaerythromycin A, Desmethylazithromycin, desmethyl-azithromycin, 10-Dihydro-10-deoxo-11-azaerythromycin A, EC 616-385-9, SCHEMBL6920246, CHEMBL1222181, HRKNNHYKWGYTEN-HOQMJRDDSA-N, ZINC94303232, AKOS025401474, CS-1474, (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, AC-18936, AN-36818, HY-17442, SC-73489, 6-Demethylazithromycin (Azaerythromycin A), FT-0647473, Z3654, W-5397, 801A859, 9-Deoxo-9a-aza-9a-homo Erythromycin A(Desmethyl Azithromycin), (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-az, (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, (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, 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*))-, Azithromycin EP Impurity A, C37H70N2O12, ACN-049978, C37-H70-N2-O12, CID9810601, CS-O-07319, CID 9831840, ,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one,

Complexity	1120
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	18
Defined Bond Stereocenter Count	0
Exact Mass	734.493g/mol
Formal Charge	0
Heavy Atom Count	51
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	734.969g/mol
Monoisotopic Mass	734.493g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	189A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number