AG0036GY

83905-01-5 | 1-Oxa-6-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-

AG0036GY

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CAS Number	83905-01-5
Catalog Number	AG0036GY(AGN-PC-0UPTKE)
Chemical Name	1-Oxa-6-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-
EC Number	617-500-5
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-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
InChI	InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
InChI Key	MQTOSJVFKKJCRP-BICOPXKESA-N
MDL Number	MFCD00873574
Molecular Formula	C38H76N2O14
Molecular Weight	785.0150
SMILES	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@H]([C@@H](O2)C)O)C(C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O.O.O
UNII	J2KLZ20U1M
Synonyms	Azadose, Azithromycin, Azithromycin Dihydrate, Azithromycin Monohydrate, Azitrocin, Azythromycin, CP 62993, CP-62993, CP62993, Dihydrate, Azithromycin, Goxal, Monohydrate, Azithromycin, Sumamed, Toraseptol, Ultreon, Vinzam, Zentavion, Zithromax, Zitromax, azithromycin, Zithromax, 83905-01-5, Azithromycine, Azithromycinum, Sumamed, Zitromax, Zmax, Azitrocin, Hemomycin, Azasite, Azenil, Aritromicina, Mixoterin, Zithrax, Zitrotek, Aziwok, Aztrin, Setron, Zitrim, Tobil, Zifin, Zeto, Zmas, Azithromycine [French], Azithromycinum [Latin], AZITHROMYCIN DIHYDRATE, Zithromax IV, CP-62993, Azitromax, Misultina, Tromix, Z-Pak, Aritromicina [Spanish], Azitromicina, UNII-J2KLZ20U1M, DRG-0104, CCRIS 1961, CP 62993, HSDB 7205, Azithromycin (anhydrous), C38H72N2O12, BRN 5387583, J2KLZ20U1M, Azythromycin, CHEBI:2955, Azithromycin (AIDS Initiative), XZ-450, MQTOSJVFKKJCRP-BICOPXKESA-N, 9-Deoxo-9a-aza-9a-methyl-9a-homoerythromycin A, Azithromycin [USAN:INN:BAN], NCGC00090753-01, DSSTox_CID_10760, DSSTox_RID_78858, Azithramycine, DSSTox_GSID_30760, (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)-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-13-((2,6-Dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl)oxy)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-1-oxa-6-azacyclopentadecan-15-one, 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-3,5,6,8,10,12,14-heptamethyl-11-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-, (2R-(2R*,3S*,4R*,5R*,8R*,10R*,11R*,12S*,13S*,14R*))-, Azitromicine, Trulimax, Zentavion, (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}-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside, SMR000471864, ZIT, Azithromycin (Zithromax), CAS-83905-01-5, Z-Pak (Azithromycin), SR-05000002067, Azithromycin, Antibiotic for Culture Media Use Only, Zithromycin, Azifast, Azigram, Azimakrol, Azitromin, Zithromac, Azyter, Aycin, NSC643732, Azithromycin,(S), Zmax SR, (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-3,5,6, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-a-L-ribo-hexopyranoside, azithromycin-zithromax, Zitromax Avium 600, Azitromicina [Spanish], Spectrum_000307, AC1L9KEG, DCH3, Spectrum2_001582, Spectrum3_000653, Spectrum4_000186, Spectrum5_001867, AZM, CHEMBL529, EC 617-500-5, Zithromax, Azithrocin, Azin, SCHEMBL23481, BSPBio_002285, KBioGR_000731, KBioSS_000787, MLS001055353, MLS001066331, MLS001201763, MLS001304005, MLS001332499, MLS001332500, BIDD:GT0792, DivK1c_000233, SPECTRUM1503679, SPBio_001544, GTPL6510, CHEMBL3736045, DTXSID8030760, Azithromycin, analytical standard, HMS500L15, KBio1_000233, KBio2_000787, KBio2_003355, KBio2_005923, KBio3_001505, SYN3010, NINDS_000233, HMS1922G12, HMS2094M11, HMS2232M10, HMS3259D10, ACT03224, Tox21_111008, Tox21_201011, BDBM50373918, CCG-39360, ZINC85537026, AKOS015895044, CS-2308, DB00207, EBD2198275, LS-1834, MCULE-8817893418, NC00712, IDI1_000233, NCGC00090753-02, NCGC00090753-03, NCGC00090753-04, NCGC00258564-01, AC-16014, BC204085, CP62,993, CPD000471864, HY-17506, SAM002589961, SBI-0206706.P001, CP-62993-3, A-9940, A-9941, 24238-EP2295402A2, 24238-EP2314590A1, 24238-EP2380874A2, 9-Deoxy-9a-aza-9a-methyl-9a-homoerythromycin A, AB00698251-10, AB00698251_11, 905A015, SR-05000002067-1, SR-05000002067-2, BRD-K74501079-001-18-1, Z1563146014, UNII-F94OW58Y8V component MQTOSJVFKKJCRP-BICOPXKESA-N, Azithromycin, European Pharmacopoeia (EP) Reference Standard, Azithromycin Identity, United States Pharmacopeia (USP) Reference Standard, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-((2S,3R,4S,6R)-, Azithromycin for peak identification, European Pharmacopoeia (EP) Reference Standard, Azithromycin for system suitability, European Pharmacopoeia (EP) Reference Standard, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)-2-ethyl-3,4,10-trihydroxy-13-((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yloxy)-3,5,6,8,10,12,14-heptamethyl-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-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-3,5,6,8,10,12,14-heptamethyl-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-3,5,6,8,10,12,14-heptamethyl-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-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)13-((2,6-Dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl)oxy)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-1-oxa-6-azacyclopentadecan-15-one, [2R-(2R*,3S*,4R*,5R*,8R*,10R*,11R*,12S*,13S*,14R*)]-13-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-.alpha.-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-, 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-3,5,6,8,10,12,14-heptamethyl-11-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-,(2R-(2R*,3S*, Toraseptol, Vinzam, arzomicin, aziromycin, Azadose, Ultreon, Goxal, Azithromycin A, Azithromycin Monohydrate, Azithromycin hydrate, azithromycin anhydrous, Dihydrate, Azithromycin, Monohydrate, Azithromycin, D03HJK, Azithromycin [USAN:BAN:INN], Azithromycin, 98% - 1G 1g, CID447043, ACN-037192, C38-H72-N2-O12, CP62993, CS-O-00853, CP 63956, A2076, B1398, 117772-70-0, D017963, N-Methyl-11-aza-10-deoxo-10-dihydroerythromycin A, ,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one, 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-3,5,6,8,10,12,14-heptamethyl-11-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-, 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-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-.beta.-D-xylo-hexopyranosyl]oxy]-, (2R,3S,4R,5R,8R,10R, 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-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-.beta.-D-xylo-hexopyranosyl]oxy]-, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-, 13-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-?-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-?-D-xylo-hexopyranosyl]oxy]-1-oxa-6-azacyclopentadecan-15-one, 2R,3R,4R,5R,8R,10R,11R,13S,14R)-11-((2S,3R,4S,6R)-4-Dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-2-ethyl-3,4,10-trihydroxy-13-((2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl)oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one,

Complexity	1150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	18
Defined Bond Stereocenter Count	0
Exact Mass	748.509g/mol
Formal Charge	0
Heavy Atom Count	52
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	748.996g/mol
Monoisotopic Mass	748.509g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	180A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

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