4-((2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)-N-((2S,3S,4S,6R)-3-hydroxy-2-methyl-6-(((1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl)oxy)tetrahydro-2H-pyran-4-yl)cyclohexane-1-carboxamide

Catalog No. :
ACNCXR890
CAS No. :
400647-59-8
Molecular Formula :
C39H42N2O14
Molecular Weight :
762.77

IUPAC Name:4-((2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)-N-((2S,3S,4S,6R)-3-hydroxy-2-methyl-6-(((1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl)oxy)tetrahydro-2H-pyran-4-yl)cyclohexane-1-carboxamide

4-((2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)-N-((2S,3S,4S,6R)-3-hydroxy-2-methyl-6-(((1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl)oxy)tetrahydro-2H-pyran-4-yl)cyclohexane-1-carboxamide structure diagram
Pack SizePurityList PriceYour PriceGlobal StockUS StockQuantity
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Product Information

Product Name4-((2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)-N-((2S,3S,4S,6R)-3-hydroxy-2-methyl-6-(((1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl)oxy)tetrahydro-2H-pyran-4-yl)cyclohexane-1-carboxamide
IUPAC Name4-((2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)-N-((2S,3S,4S,6R)-3-hydroxy-2-methyl-6-(((1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl)oxy)tetrahydro-2H-pyran-4-yl)cyclohexane-1-carboxamide
Molecular FormulaC39H42N2O14
Molecular Weight762.77
SMILESC[C@@H]1O[C@@H](O[C@H]2C[C@](C(CO)=O)(CC3=C(C(C(C4=C5C(OC)=CC=C4)=O)=C(C(O)=C23)C5=O)O)O)C[C@H](NC(C6CCC(CN7C(C=CC7=O)=O)CC6)=O)[C@@H]1O
InChI KeyOTQOQHVWNBKSGU-SAJDXUNTSA-N
SynonymDoxorubicin-SMCC;N-(4-((2,5-dioxo-2H-pyrrol-1(5H)-yl)methyl)cyclohexane)-Doxorubicin;5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-[[[4-[(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)methyl]cyclohexyl]carbonyl]amino]-α-L-lyxo-hexopyranosyl]oxy]-, (8S,10S)-
CAS No.400647-59-8

Safety Data

Pictogram
Harmful or irritantHealth hazard
Signal Word
Danger
Hazard Statement(s)
H302-H340-H350-H360
Precautionary Statement(s)
P201-P202-P264-P270-P280-P308+P313-P405-P501

Synthetic Route by SureRoute

1. ACNCXR890 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACNCXR890 route product structure diagram
    ACNCXR890400647-59-8 In Stock
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2. ACNCXR890 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACNCXR890 route product structure diagram
    ACNCXR890400647-59-8 In Stock
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