Semduramicin sodium

Molecular Formula: C45H75NaO16


InChI: InChI=1/C45H76O16.Na/c1-22-18-23(2)43(9,50)58-36(22)30-19-31(55-34-13-12-29(52-10)27(6)54-34)40(56-30)42(8)15-14-32(57-42)41(7)16-17-44(61-41)20-28(46)24(3)37(59-44)25(4)38-39(53-11)35(49)26(5)45(51,60-38)21-33(47)48;/h22-32,34-40,46,49-51H,12-21H2,1-11H3,(H,47,48);/q;+1/p-1/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31-,32+,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44+,45+;/m0./s1/fC45H75O16.Na/q-1;m

InChIKey: InChIKey=JXRFTGPGWGUBQB-FJRYUQPFDF
SMILES: CC1CC(C(OC1C2CC(C(O2)C3(CCC(O3)C4(CCC5(O4)CC(C(C(O5)C(C)C6C(C(C(C(O6)(CC(=O)[O-])O)C)O)OC)C)O)C)C)OC7CCC(C(O7)C)OC)(C)O)C.[Na+]

Names:
    Aviax (TN)
    Aviax
    D01923
    Semduramicin sodium (JAN/USAN)
    Semduramicin sodium
    sodium 2-[(2R,3S,4S,5R,6S)-2,4-dihydroxy-6-[(1S)-1-[(2S,5R,7S,8R,9S)-9-hydroxy-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyl-oxan-2-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyl-oxan-2-yl]oxy-oxolan-2-yl]-5-methyl-oxolan-2-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]ethyl]-5-methoxy-3-methyl-oxan-2-yl]acetate
    UK 61689-2
    119068-77-8

Registries:
    PubChem CID 656608
    PubChem ID 7848985