Quetiapine Glucuronide
Product Code
TRC-Q187410-25MG
CAS Number
Product Format
Neat
Molecular Formula
C27 H33 N3 O8 S
Molecular Weight
559.631
Product Categories
Product Code
TRC-Q187410-25MG
CAS Number
Product Format
Neat
Molecular Formula
C27 H33 N3 O8 S
Molecular Weight
559.631
Product Categories
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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
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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