Rifamdin-d4

Analyte Name

Rifamdin-d4

Molecular Formula

C46H60D4N4O12

Molecular Weight

869.06

Accurate Mass

868.48

SMILES

OC1=C(/C=N/N2C([2H])C([2H])N(CC(C)C)C([2H])C2[2H])C3=C(O)C4=C(O)C(C)=C(O[C@@](O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(C)\C(N3)=O)(C)C5=O)C5=C41

InChI

InChI=1S/C46H64N4O12/c1-23(2)22-49-16-18-50(19-17-49)47-21-31-36-41(56)34-33(40(31)55)35-43(29(8)39(34)54)62-46(10,44(35)57)60-20-15-32(59-11)26(5)42(61-30(9)51)28(7)38(53)27(6)37(52)24(3)13-12-14-25(4)45(58)48-36/h12-15,20-21,23-24,26-28,32,37-38,42,52-56H,16-19,22H2,1-11H3,(H,48,58)/b13-12+,20-15+,25-14-,47-21+/t24?,26?,27?,28?,32?,37-,38+,42?,46?/m0/s1/i16D,17D,18D,19D/t16?,17?,18?,19?,24?,26?,27?,28?,32?,37-,38+,42?,46?

IUPAC

3-[[[4-(2-Methylpropyl)-1-piperazinyl-d4]imino]methyl]rifamycin

Alternate CAS Number

89499-17-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat