Name: Quetiapine-D8 hemifumarate (0.1 mg/ml) (as free base) in Methanol
Brand: Cerilliant
SKU: CERQ-002

Product Code

CERQ-002

CAS Number

1185247-12-4

Product Format

Single Solution

Matrix

Methanol

Molecular Formula

2 C21 2H8 H17 N3 O2 S . C4 H4 O4

Molecular Weight

899.18

Product Categories

Antipsychotics

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

773058-82-5

Cerilliant

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Analyte Data

Analyte Name

Quetiapine-D8 hemifumarate

CAS Number

1185247-12-4

Molecular Formula

2 C21 2H8 H17 N3 O2 S . C4 H4 O4

Molecular Weight

899.18

Accurate Mass

898.4449

Flash Point

-20

SMILES

[2H]C1([2H])N(CCOCCO)C([2H])([2H])C([2H])([2H])N(C2=Nc3ccccc3Sc4ccccc24)C1([2H])[2H].[2H]C5([2H])N(CCOCCO)C([2H])([2H])C([2H])([2H])N(C6=Nc7ccccc7Sc8ccccc68)C5([2H])[2H].OC(=O)\C=C\C(=O)O

InChI

InChI=1S/2C21H25N3O2S.C4H4O4/c2*25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21;5-3(6)1-2-4(7)8/h2*1-8,25H,9-16H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+/i2*9D2,10D2,11D2,12D2;

IUPAC

2-[2-(4-benzo[b][1,4]benzothiazepin-6-yl-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)ethoxy]ethanol;(E)-but-2-enedioic acid

Unlabelled CAS Number

773058-82-5

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

UNITED STATES

Tariff Code

28459010

Product Format

Single Solution

Matrix

Methanol

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Quetiapine-D8 hemifumarate (0.1 mg/ml) (as free base) in Methanol

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