Chem
J-GLOBAL ID：200907043590697274   Nikkaji number：J1.677.072H

(Z)-Roxithromycin

(Z)-ロキシトロマイシン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C41H76N2O15
Molecular formula furigana： C41-H76-N2-O15
Molecular weight： 837.058
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-VWTNMMCSSA-N
SMILES： CCC1OC(=O)[C@H](C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)/C(=N/OCOCCOC)/[C@H](C)[C@@H](O)[C@]1(C)O
Systematic name  (3)：
  • (9Z)-エリスロマイシン9-[O-[(2-メトキシエトキシ)メチル]オキシム]
  • (3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(ジメチルアミノ)-3-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-14-エチル-7,12,13-トリヒドロキシ-4-{[(2R,4R,5S,6S)-5-ヒドロキシ-4-メトキシ-4,6-ジメチルオキサン-2-イル]オキシ}-3,5,7,9,11,13-ヘキサメチル-10-(2,4,7-トリオキサ-1-アザオクタン-1-イリデン)-1-オキサシクロテトラデカン-2-オン
  • (3R,4S,5S,6R,7R,9R,10Z,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
Other name (3)：
  • (9Z)-Erythromycin 9-[O-[(2-methoxyethoxy)methyl]oxime]
  • (Z)-ロキシトロマイシン
  • (Z)-Roxithromycin
CAS registry number： 134931-00-3
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