An Analytical Reference Standard
Related Products
Parent Compound(s)
120655-fluoro AKB48
Technical Support & Resources

Visit our FAQ

Contact Us

Toll Free Phone (USA and Canada Only): (888) 526-5351
Direct Phone: (734) 975-3888

Request Technical Support

Technical Support Request

To streamline the process attach the appropriate questionnaire to your inquiry.

Download IHC QuestionnaireDownload WB Questionnaire

View Our Privacy Statement for details on how we use and protect your data. In addition, this site is protected by hCaptcha and its Privacy Policy and Terms of Service apply.

4-fluoro ABUTINACA N-butanoic acid metabolite

Item No. 30749

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
4-(3-(((3s,5s,7s)-adamantan-1-yl)carbamoyl)-1H-indazol-1-yl)butanoic acid
Molecular Formula
C22H27N3O3
Formula Weight
381.5
Purity
≥98%
Formulation
A crystalline solid
Solubility(Learn about Variance in Solubility)
DMF: 10 mg/mlDMF:PBS (pH 7.2) (1:2): 0.33 mg/mlEthanol: 5 mg/ml
λmax
210, 303 nm
SMILES
O=C(NC12C[C@@H](C[C@H]3C2)C[C@@H](C3)C1)C4=NN(CCCC(O)=O)C5=C4C=CC=C5
InChi Code
InChI=1S/C22H27N3O3/c26-19(27)6-3-7-25-18-5-2-1-4-17(18)20(24-25)21(28)23-22-11-14-8-15(12-22)10-16(9-14)13-22/h1-2,4-5,14-16H,3,6-13H2,(H,23,28)(H,26,27)/t14-,15+,16-,22?
InChi Key
CBALIEUNWHTJHJ-GGTBJBEQSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
Recommended Products

Certificates of Analysis & Batch Specific Data

Provide batch numbers separated by commas to download or request available product inserts, QC sheets, certificates of analysis, data packs, and GC-MS data.

Download most recent Certificate of Analysis for this product

    1 mg

    $129

    Add

    5 mg

    $510

    Add
    Cayman Chemical
    Cayman Spectral Library

    Our free, searchable, GC-MS spectral database contains 70eV EI mass spectral data of 2,000+ of Cayman’s forensic drug standards.

    DOWNLOAD THE DATABASE
    Product Description

    4-fluoro ABUTINACA N-butanoic acid metabolite (Item No. 30749) is an analytical reference standard that is structurally similar to known synthetic cannabinoids. 4-fluoro ABUTINACA N-butanoic acid metabolite is a potential metabolite of 4-fluoro ABUTINACA (Item No. 30724) based on the published metabolism of 5-fluoro AKB48 (Item No. 12065).1 At the time 4-fluoro ABUTINACA N-butanoic acid metabolite was made available for purchase, specific metabolism data had not been published. Contact us if updated information on this molecule is now available. This product is intended for research and forensic applications.

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Holm, N.B., Pedersen, A.J., Dalsgaard, P.W., et al. Metabolites of 5F-AKB-48, a synthetic cannabinoid receptor agonist, identified in human urine and liver microsomal preparations using liquid chromatography high-resolution mass spectrometry. Drug Test Anal. 7(3), 199-206 (2015).