A Certified Reference Material
Features
  • This product is qualified as a Certified Reference Material (CRM) that has been manufactured and tested to meet ISO/IEC 17025 and ISO 17034 international standards
  • This CRM has been characterized by metrologically valid procedures and may be used as a quantitative analytical reference standard
  • Certificate of analysis provides the certified property values and the associated uncertainties, including a statement of metrological traceability for the certified values
  • Bulk material is available for qualified institutions; please contact our sales department for pricing
Related Products
Unlabeled Version(s)
17727XLR11 N-(4-hydroxypentyl) metabolite (CRM)
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XLR11 N-(4-hydroxypentyl) metabolite-d5 (CRM)

A 100 µg/ml solution in methanol

Item No. 18121

Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
(1-(5-fluoro-4-hydroxypentyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone-2,4,5,6,7-d5
Molecular Formula
C21H23D5FNO2
Formula Weight
350.5
Formulation
A 100 µg/ml solution in methanol
SMILES
O=C(C1C(C)(C)C1(C)C)C2=C([2H])N(CCCC(O)CF)C3=C2C([2H])=C([2H])C([2H])=C3[2H]
InChi Code
InChI=1S/C21H28FNO2/c1-20(2)19(21(20,3)4)18(25)16-13-23(11-7-8-14(24)12-22)17-10-6-5-9-15(16)17/h5-6,9-10,13-14,19,24H,7-8,11-12H2,1-4H3/i5D,6D,9D,10D,13D
InChi Key
MDPXVRYUGDTVIS-FOZLTFMXSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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Certificates of Analysis & Batch Specific Data

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    100 µg

    $90

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    Product Description

    XLR11 N-(4-hydroxypentyl) metabolite-d5 (CRM) is intended for use as an internal standard for the quantification of XLR11 N-(4-hydroxypentyl) metabolite (Item No. 17727) by GC- or LC-mass spectrometry. XLR11 (Item No. 11565) is a synthetic cannabinoid (CB) featuring a tetramethylcyclopropyl group, which reportedly confers selectivity for the peripheral CB2 receptor over the central CB1 receptor.1 XLR11 also has an N-(5-fluoropentyl) chain, which increases binding to both CB receptors.2 XLR11 N-(4-hydroxypentyl) metabolite is an expected phase 1 metabolite of XLR11, based on the known metabolism of similar compounds.3,4 The physiological properties of this compound have not been evaluated. This product is intended for forensic and research applications.

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Frost, J.M., Dart, M.J., Tietje, K.R., et al. Indol-3-ylcycloalkyl ketones: Effects of N1 substituted indole side chain variations on CB2 cannabinoid receptor activity. J. Med. Chem. 53(1), 295-315 (2010).

    2. Makriyannis, A., and Deng, H. Cannabimimetic indole derivatives. US7241799B2, (2001).

    3. Zhang, Q., Ma, P., Cole, R.B., et al. Identification of in vitro metabolites of JWH-015, an aminoalkylindole agonist for the peripheral cannabinoid receptor (CB2) by HPLC-MS/MS. Anal. Bioanal. Chem. 386(5), 1345-1355 (2006).

    4. Wintermeyer, A., Möller, I., Thevis, M., et al. In vitro phase I metabolism of the synthetic cannabimimetic JWH-018. Anal. Bioanal. Chem. 398(5), 2141-2153 (2010).