Analyte Name

Hydroxy Desmethyl Cariprazine Glucuronide

Molecular Formula

C26 H38 Cl2 N4 O8

Molecular Weight

605.508

Accurate Mass

604.207

SMILES

CNC(=O)N[C@@H]1CC[C@@H](CCN2CCN(CC2)c3ccc(OC4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)c(Cl)c3Cl)CC1

InChI

InChI=1S/C26H38Cl2N4O8/c1-29-26(38)30-15-4-2-14(3-5-15)8-9-31-10-12-32(13-11-31)16-6-7-17(19(28)18(16)27)39-25-22(35)20(33)21(34)23(40-25)24(36)37/h6-7,14-15,20-23,25,33-35H,2-5,8-13H2,1H3,(H,36,37)(H2,29,30,38)/t14-,15-,20-,21-,22+,23-,25?/m0/s1

IUPAC

(2S,3S,4S,5R)-6-[2,3-dichloro-4-[4-[2-[4-(methylcarbamoylamino)cyclohexyl]ethyl]piperazin-1-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat