AG005CAF

80214-83-1 | Erythromycin, 9-​[O-​[(2-​methoxyethoxy)​methyl]​oxime]​, (9E)​- (9CI)

AG005CAF

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CAS Number	80214-83-1
Catalog Number	AG005CAF(AGN-PC-0UGPTQ)
Chemical Name	Erythromycin, 9-​[O-​[(2-​methoxyethoxy)​methyl]​oxime]​, (9E)​- (9CI)
EC Number	617-007-5
IUPAC Name	(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
InChI	InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1
InChI Key	RXZBMPWDPOLZGW-XMRMVWPWSA-N
MDL Number	MFCD00214389
Molecular Formula	C41H76N2O15
Molecular Weight	837.0465
NSC Number	758443
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](O2)C)[C@](C)(O)C[C@@H](C)/C(=NOCOCCOC)/[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)O)C)[C@H]1C[C@](OC)(C)[C@H]([C@@H](O1)C)O
UNII	21KOF230FA
Synonyms	Biaxsig, Claramid, Infectoroxit, Macrosil, MTW-Roxithromycin, Rotesan, Rotramin, Roxi 1A Pharma, Roxi Basics, Roxi TAD, roxi von ct, Roxi-paed 1A Pharma, Roxi-Puren, Roxi-Q, Roxi-saar, Roxi-Wolff, Roxibeta, roxidura, Roxigamma, Roxigrün, Roxihexal, Roxithro-Lich, Roxithromycin, RU 28965, RU 965, RU-28965, RU-965, RU28965, RU965, Rulid, Rulide, roxithromycin, Roxithromycine, Roxithromycinum, Roxitromicina, 80214-83-1, Rulide, RU 965, UNII-21KOF230FA, Roxithromycine [French], Roxithromycinum [Latin], Roxitromicina [Spanish], 21KOF230FA, RU 28965, CHEBI:48935, RU-965, RU-28965, CCRIS 3461, (E)-roxithromycin, Erythromycin 9-(O-((2-methoxyethoxy)methyl)oxime), BRN 4286925, Rulide (TN), 9-(O-((2-Methoxyethoxy)methyl)oxime)erythromycin, SR-05000001850, Erythromycin, 9-(O-((2-methoxyethoxy)methyl)oxime), CHEBI:48844, Erythromycin, 9-(O-((2-methoxyethoxy)methyl)oxime), (9E)-, Roxithromycin,(S), (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10, Roxithromycin [USAN:INN:BAN:JAN], RC2952, AC1OCCUC, 9-[O-[(2-Methoxyethoxy)methyl]oxime]erythromycin, Spectrum5_001058, SCHEMBL65985, BSPBio_002717, SPECTRUM1503276, 9-[O-(2-methoxyethoxymethyl)-oxime] of erythromycin, CHEMBL1214185, HMS501D04, HMS1922O19, HMS2093C11, HMS3714L09, Pharmakon1600-01503276, Roxithromycin (JP17/USAN/INN), HY-B0435, ROX, CCG-39329, NSC758443, ZINC96061888, AKOS015969730, CS-2541, DB00778, NSC-758443, IDI1_000382, NCGC00178510-01, SBI-0051809.P002, TL8005408, C13173, D01710, AB00052342_02, SR-05000001850-1, SR-05000001850-2, BRD-K38684403-001-03-9, BRD-K38684403-001-05-4, (9E)-erythromycin 9-(O-((2-methoxyethoxy)methyl)oxime), 9-[O-[(2-Methoxyethoxy)methyl]oxime]erythromycin, (9E)-, (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-10-{[(2-methoxyethoxy)methoxy]imino}-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one, (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one, (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one, (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-10-{[(2-methoxyethoxy)m, (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-10-{[(2-methoxyethoxy)methoxy]imino}-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one, (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione 10-{O-[(2-methoxyethoxy)methyl]oxime} (non-preferred name), (3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-10-{[(2-methoxyethoxy)methoxy]imino}-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one, (3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-10-(2,4,7-trioxa-1-azaoctan-1-ylidene)-1-oxacyclotetradecan-2-one, (3R,4S,5S,6R,7R,9R,11S,12R,13S,14R,E)-6-(((2S,3R,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-ethyl-7,12,13-trihydroxy-4-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-10-(((2-methoxyethoxy)methoxy)imino)-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one, Claramid, Rotramin, Rulid, roxacin, roxidura, Infectoroxit, Macrosil, Rossitrol, Roxeptin, Roxibeta, Roxigamma, Roxigrun, Roxihexal, Assoral, Biaxsig, Overall, Rotesan, Surlid, Roxithromycin A, Roxithro-Lich, Roxi-saar, Roxi Basics, Roxi-Puren, Roxi-Wolff, roxi von ct, MTW-Roxithromycin, Roxi 1A Pharma, Roxi-Q, Roximycin (TN), Tirabicin (TN), Roxi TAD, Biaxsig (TN), Coroxin (TN), Surlid (TN), Roxar (TN), Roxi-paed 1A Pharma, Roxo (TN), D0Y4FL, Roxithromycin EP Impurity D, Roxl-150 (TN), Roxithromycin [USAN:INN:JAN], Roxithromycin (JP15/USAN/INN), RU965, C41H76N2O15, Roxithromycin, 98% - 25G 25g, oxacyclotetradecane erythromycin deriv, Roxithromycin & Tumor Necrosis Factor, ACN-037191, C41-H76-N2-O15, CID6915744, CS-T-57685, RU28965, D015575, Erythromycin 9-(-O-[2-methoxyethoxy]methyloxime), Erythromycin 9-[O-[(2-methoxyethoxy)methyl]oxime], Erythromycin, 9-[O-[(2-methoxyethoxy)methyl]oxime], (9E)-, RXM, -(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one,

Complexity	1310
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	18
Defined Bond Stereocenter Count	1
Exact Mass	836.525g/mol
Formal Charge	0
Heavy Atom Count	58
Hydrogen Bond Acceptor Count	17
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	837.058g/mol
Monoisotopic Mass	836.525g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	217A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P301+P312+P330-P264-P270-P301+P312a-P330-P501a
UN Code

Certificate of Analysis

Lot Number