Products 211364-63-5

CAS 211364-63-5 is the registry number for 3-N-Carboxylic Acid 1-beta-D-Glucuronide-(4-(methyl)phenyl)carbamate Ester Doxorubicin. Offered by: TRC. Available pack sizes: 50mg.

3-N-Carboxylic Acid 1-beta-D-Glucuronide-(4-(methyl)phenyl)carbamate Ester Doxorubicin
TRC
  • size: 50mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

3,4,5-trihydroxy-6-[[4-[[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyloxymethyl]phenyl]carbamoyloxy]oxane-2-carboxylic acid (CAS 211364-63-5) is a chemical compound with the molecular formula C42H44N2O21 and a molecular weight of 912.8 g/mol. IUPAC name: 3,4,5-trihydroxy-6-[[4-[[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyloxymethyl]phenyl]carbamoyloxy]oxane-2-carboxylic acid. InChIKey: JMQFPCCQDFWYFH-MGPJSEKCSA-N.

Identity
Molecular formulaC42H44N2O21
Molecular weight912.8 g/mol
IUPAC name3,4,5-trihydroxy-6-[[4-[[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyloxymethyl]phenyl]carbamoyloxy]oxane-2-carboxylic acid
InChIKeyJMQFPCCQDFWYFH-MGPJSEKCSA-N
SMILESCC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)OCC6=CC=C(C=C6)NC(=O)OC7C(C(C(C(O7)C(=O)O)O)O)O)O

Computed by PubChem (NCBI)