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A-834735 Degradant

Item No. 14165

Product Insert (PDF)GC-MS (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
3,3,4-trimethyl-1-[1-[(tetrahydro-2H-pyran-4-yl)methyl]-1H-indol-3-yl]-4-penten-1-one
CAS Number
2244599-90-2
Molecular Formula
C22H29NO2
Formula Weight
339.5
Purity
≥95%
Formulation
A solution in methanol
Solubility(Learn about Variance in Solubility)
DMF: 20 mg/mlDMSO: 10 mg/mlEthanol: 30 mg/mlEthanol:PBS (pH 7.2) (1:3): 0.25 mg/ml
λmax
213, 246, 304 nm
SMILES
O=C(C1=CN(CC2CCOCC2)C3=C1C=CC=C3)CC(C)(C)C(C)=C
InChi Code
InChI=1S/C22H29NO2/c1-16(2)22(3,4)13-21(24)19-15-23(14-17-9-11-25-12-10-17)20-8-6-5-7-18(19)20/h5-8,15,17H,1,9-14H2,2-4H3
InChi Key
SHMFIOCKSMJXSG-UHFFFAOYSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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    Product Description

    A-834735 degradant is a common impurity observed during GC-MS analysis of samples containing A-834735. The opened ring of the degradant is presumed to be produced during heating of A-834735. This structure gives rise to a prominent fragment ion that is 15 amu greater than the base peak of A-834735. This pattern is consistent with McLafferty rearrangement of the degradant which does not occur with the parent compound.1

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. McLafferty, F.W. Mass spectrometric analysis. Molecular rearrangements. Anal. Chem. 31(1), 82-87 (1959).

    Product Citations

    Thomas, B.F., Lefever, T.W., Cortes, R.A., et al. Thermolytic degradation of synthetic cannabinoids: Chemical exposures and pharmacological consequences. J. Pharmacol. Exp. Ther. 361(1), 162-171 (2017).