Analyte Name

(Z)-Roxithromycin-d7

Molecular Formula

C41 D7 H69 N2 O14

Molecular Weight

828.09

Accurate Mass

827.574

SMILES

[2H]C([2H])([2H])OC([2H])([2H])C([2H])([2H])OCO\N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@H](C)[C@H](O)[C@H]1C

InChI

InChI=1S/C41H76N2O14/c1-15-30-24(4)33(44)25(5)32(42-52-21-51-17-16-49-13)22(2)19-40(9,48)37(57-39-34(45)29(43(11)12)18-23(3)53-39)26(6)35(27(7)38(47)55-30)56-31-20-41(10,50-14)36(46)28(8)54-31/h22-31,33-37,39,44-46,48H,15-21H2,1-14H3/b42-32-/t22-,23-,24+,25+,26+,27-,28+,29+,30-,31+,33+,34-,35+,36+,37-,39+,40-,41-/m1/s1/i13D3,16D2,17D2

IUPAC

(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13R,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-10-[[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]methoxyimino]-oxacyclotetradecan-2-one

Unlabelled CAS Number

134931-00-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat