Analyte Name

Heptaacetyl-D-lactoside Chlordiazepoxide

Molecular Formula

C42 H48 Cl N3 O18

Molecular Weight

918.293

Accurate Mass

917.262

SMILES

CN(C1O[C@H](COC(=O)C)[C@@H](O[C@@H]2O[C@H](COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)C3=Nc4ccc(Cl)cc4C(=[N+]([O-])C3)c5ccccc5

InChI

InChI=1S/C42H48ClN3O18/c1-20(47)55-18-31-36(64-42-40(61-26(7)53)38(59-24(5)51)35(57-22(3)49)32(63-42)19-56-21(2)48)37(58-23(4)50)39(60-25(6)52)41(62-31)45(8)33-17-46(54)34(27-12-10-9-11-13-27)29-16-28(43)14-15-30(29)44-33/h9-16,31-32,35-42H,17-19H2,1-8H3/t31-,32-,35+,36-,37+,38+,39-,40-,41?,42+/m1/s1

IUPAC

[(2R,3R,4S,5R)-4,5-diacetyloxy-6-[(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methylamino]-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat