Nombre del analito

Quetiapine Glucuronide

Número CAS

1874149-71-9

Fórmula molecular

C27 H33 N3 O8 S

Peso molecular

559.631

Masa exacta

559.199

SMILES

O[C@@H]1[C@@H](O)[C@H](OCCOCCN2CCN(CC2)C3=Nc4ccccc4Sc5ccccc35)O[C@@H]([C@H]1O)C(=O)O

InChI

InChI=1S/C27H33N3O8S/c31-21-22(32)24(26(34)35)38-27(23(21)33)37-16-15-36-14-13-29-9-11-30(12-10-29)25-17-5-1-3-7-19(17)39-20-8-4-2-6-18(20)28-25/h1-8,21-24,27,31-33H,9-16H2,(H,34,35)/t21-,22-,23+,24-,27+/m0/s1

IUPAC

(2S,3S,4S,5R,6R)-6-[2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat