Semduramicin sodium

Catalog No. :
ACYSEW282
CAS No. :
119068-77-8
Molecular Formula :
C45H75NaO16
Molecular Weight :
895.07

IUPAC Name:sodium 2-((2R,3S,4S,5R,6S)-2,4-dihydroxy-6-((R)-1-((2S,5R,7S,8R,9S)-9-hydroxy-2-((2S,2'R,3'S,5R,5'R)-5'-((2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyltetrahydro-2H-pyran-2-yl)-3'-(((2S,5S,6R)-5-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-methyloctahydro-[2,2'-bifuran]-5-yl)-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl)ethyl)-5-methoxy-3-methyltetrahydro-2H-pyran-2-yl)acetate

Semduramicin sodium structure diagram
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Product Information

Product NameSemduramicin sodium
IUPAC Namesodium 2-((2R,3S,4S,5R,6S)-2,4-dihydroxy-6-((R)-1-((2S,5R,7S,8R,9S)-9-hydroxy-2-((2S,2'R,3'S,5R,5'R)-5'-((2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyltetrahydro-2H-pyran-2-yl)-3'-(((2S,5S,6R)-5-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-methyloctahydro-[2,2'-bifuran]-5-yl)-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl)ethyl)-5-methoxy-3-methyltetrahydro-2H-pyran-2-yl)acetate
Molecular FormulaC45H75NaO16
Molecular Weight895.07
SMILESO=C([O-])C[C@]1(O)[C@@H](C)[C@H](O)[C@@H](OC)[C@H]([C@@H]([C@H]([C@H](C)[C@@H](O)C2)O[C@]32CC[C@]([C@H]4CC[C@]([C@@H]5O[C@@H]([C@@H]6[C@@H](C)C[C@@H](C)[C@@](C)(O)O6)C[C@@H]5O[C@H]7CC[C@H](OC)[C@@H](C)O7)(C)O4)(C)O3)C)O1.[Na+]
InChI KeyJXRFTGPGWGUBQB-LHOUOPCDSA-M
SynonymSEMDURAMICINSODIUM;semduramicin sodium salt;689-2;UK 61689-2;UK-61689-2;UK61689-2;Semduramicin sodium 100 μg/ml Acetonitrile;Semduramicin sodium in Acetonitrile
CAS No.119068-77-8

Safety Data

Pictogram
Harmful or irritantHealth hazard
Signal Word
Gefahr
Hazard Statement(s)
H317-H334
Precautionary Statement(s)
P261-P272-P280-P284-P302+P352-P304+P340-P333+P313-P342+P311-P362+P364-P501

Synthetic Route by SureRoute

1. ACYSEW282 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACYSEW282 route product structure diagram
    ACYSEW282119068-77-8
Inquiry

2. ACYSEW282 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACYSEW282 route product structure diagram
    ACYSEW282119068-77-8
Inquiry

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