Analyte Name

14-Bromo 4'-epi-Daunorubicin Hydrochloride

CAS Number

99530-17-3

Molecular Formula

C27H28BrNO10•HCl

Molecular Weight

642.88

Accurate Mass

641.07

SMILES

OC1=C(C(C2=CC=CC(OC)=C2C3=O)=O)C3=C(O)C4=C1C[C@](C(CBr)=O)(O)C[C@@H]4O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O)N.Cl

InChI

InChI=1S/C27H28BrNO10.ClH/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

(8S,10S)-10-(((2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-8-(2-bromoacetyl)-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione hydrochloride

Alternate CAS Number

99570-29-3

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat