8-Desacetyl-8-carboxy Daunorubicin Hydrochloride Hydrate

Analyte Name

8-Desacetyl-8-carboxy Daunorubicin Hydrochloride Hydrate

Molecular Formula

C26H27NO11 • HCl • xH2O

SMILES

O=C1C2=C(C(O)=C([C@@H](O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C[C@@](C(O)=O)(O)C4)C4=C2O)C(C5=C1C=CC=C5OC)=O.Cl

InChI

InChI=1S/C26H27NO11.ClH/c1-9-20(28)12(27)6-15(37-9)38-14-8-26(35,25(33)34)7-11-17(14)24(32)19-18(22(11)30)21(29)10-4-3-5-13(36-2)16(10)23(19)31;/h3-5,9,12,14-15,20,28,30,32,35H,6-8,27H2,1-2H3,(H,33,34);1H/t9-,12-,14-,15-,20+,26-;/m0./s1

IUPAC

(2S,4S)-4-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-2-carboxylic acid hydrogen chloride

Alternate CAS Number

58199-96-5 anhydrous

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)