Analyte Name

Rifampicin N-Oxide-D8

Molecular Formula

C47 D8 H56 N4 O13

Molecular Weight

901.079

Accurate Mass

900.497

SMILES

[2H]C1([2H])N(\N=C/c2c(O)c3c4C(=O)[C@@]5(C)O\C=C\[C@H](OC)[C@@H](C)[C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)\C=C\C=C(\C)/C(=O)Nc2c(O)c3c(O)c(C)c4O5)C([2H])([2H])C([2H])([2H])N(=O)(C6CCCC6)C1([2H])[2H]

InChI

InChI=1S/C47H64N4O13/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-50-18-20-51(60,21-19-50)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,64-44)62-22-17-33(61-9)26(3)43(63-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,48-23-/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1/i18D2,19D2,20D2,21D2

IUPAC

[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-[(Z)-(4-cyclopentyl-2,2,3,3,5,5,6,6-octadeuterio-4-oxo-1,4?5-diazinan-1-yl)iminomethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1,3,5(28),9,19,21,25(29),26-octaen-13-yl] acetate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat