Analyte Name

(8S,10S)-10-[(3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-8-(2-bromo-1,1-dimethoxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione-d6(Doxorubicin Impurity)

Molecular Formula

C29H28D6BrNO11

Molecular Weight

658.52

Accurate Mass

657.17

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(OC([2H])([2H])[2H])(OC([2H])([2H])[2H])CBr)(O)C4)C4=C2O)C(C5=C1C=CC=C5OC)=O

InChI

InChI=1S/C29H34BrNO11/c1-12-23(32)15(31)8-18(41-12)42-17-10-28(37,29(11-30,39-3)40-4)9-14-20(17)27(36)22-21(25(14)34)24(33)13-6-5-7-16(38-2)19(13)26(22)35/h5-7,12,15,17-18,23,32,34,36-37H,8-11,31H2,1-4H3/t12-,15+,17-,18-,23-,28-/m0/s1/i3D3,4D3

IUPAC

(8S,10S)-10-(((2R,4R,5R,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-8-(2-bromo-1,1-bis(methoxy-d3)ethyl)-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat