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+48 22 751 31 40

Product Code

TRC-Q187410

CAS Number

1874149-71-9

Product Format

Neat

Molecular Formula

C27 H33 N3 O8 S

Molecular Weight

559.631

Product Categories

TRC

Price and availability

48-hour USA dispatch time
Freight restricted.

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Product Information

Chemical Data

Analyte Name

Quetiapine Glucuronide

CAS Number

1874149-71-9

Molecular Formula

C27 H33 N3 O8 S

Molecular Weight

559.631

Accurate Mass

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

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat
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