3-N-Carboxylic Acid 1-ß-D-Glucuronide-[4-(methyl)phenyl]carbamate Ester Doxorubicin

Product Name 3-N-Carboxylic Acid 1-ß-D-Glucuronide-[4-(methyl)phenyl]carbamate Ester Doxorubicin
Alternate Names Doxorubicin Glucuronides, Glucuronides of Doxorubicin
CAT No. CS-T-70912
CAS No. 211364-63-5
Category Glucuronides
Stock Enquire
Mol. Wt. Not Available
Mol. For. Not Available
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Parent API Doxorubicin
Canonical Smiles CC1C(C(CC(O1)OC2CC(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
InchIKey JMQFPCCQDFWYFH-MGPJSEKCSA-N
Inchl InChI=1S/C42H44N2O21/c1-15-29(47)20(44-40(57)61-14-16-6-8-17(9-7-16)43-41(58)65-39-36(54)34(52)35(53)37(64-39)38(55)56)10-24(62-15)63-22-12-42(59,23(46)13-45)11-19-26(22)33(51)28-27(31(19)49)30(48)18-4-3-5-21(60-2)25(18)32(28)50/h3-9,15,20,22,24,29,34-37,39,45,47,49,51-54,59H,10-14H2,1-2H3,(H,43,58)(H,44,57)(H,55,56)/t15?,20?,22-,24?,29?,34?,35?,36?,37?,39?,42-/m0/s1
IUPAC 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
Controlled No
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