Analyte Name

6'-Hydroxy Delavirdine O-beta-D-Glucuronide-d8

Molecular Formula

C28 D8 H28 N6 O10 S

Molecular Weight

656.734

Accurate Mass

656.272

SMILES

[2H]C1([2H])N(C(=O)c2cc3cc(NS(=O)(=O)C)ccc3[nH]2)C([2H])([2H])C([2H])([2H])N(c4nc(O[C@H]5O[C@H]([C@H](O)[C@@H](O)[C@@H]5O)C(=O)O)ccc4NC(C)C)C1([2H])[2H]

InChI

InChI=1S/C28H36N6O10S/c1-14(2)29-18-6-7-20(43-28-23(37)21(35)22(36)24(44-28)27(39)40)31-25(18)33-8-10-34(11-9-33)26(38)19-13-15-12-16(32-45(3,41)42)4-5-17(15)30-19/h4-7,12-14,21-24,28-30,32,35-37H,8-11H2,1-3H3,(H,39,40)/t21-,22-,23+,24-,28+/m1/s1/i8D2,9D2,10D2,11D2

IUPAC

(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[6-[2,2,3,3,5,5,6,6-octadeuterio-4-[5-(methanesulfonamido)-1H-indole-2-carbonyl]piperazin-1-yl]-5-(propan-2-ylamino)pyridin-2-yl]oxyoxane-2-carboxylic acid

Unlabelled CAS Number

188780-39-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat