Analyte Name

14-Bromo Daunorubicin Hydrobromide Salt

CAS Number

60873-68-9

Molecular Formula

C27H29Br2NO10

Molecular Weight

687.33

SMILES

O[C@@H]1[C@H](C)O[C@@H](O[C@@H](C[C@@](C(CBr)=O)(O)C2)C(C2=C3O)=C(O)C4=C3C(C5=C(C4=O)C(OC)=CC=C5)=O)C[C@H]1N.Br

InChI

InChI=1S/C27H28BrNO10.BrH/c1-10-22(31)13(29)6-17(38-10)39-15-8-27(36,16(30)9-28)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,31,33,35-36H,6-9,29H2,1-2H3;1H/t10-,13+,15-,17-,22+,27-;/m0./s1

IUPAC

(7S,9S)-7-[(2R,4R,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-(2-bromoacetyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrobromide

Alternate CAS Number

Free base: 65026-79-1

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Doxorubicin; Doxorubicin Hydrochloride