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Chemical structure of AB-FUBINACA-d4 (CRM)

GC40136

AB-FUBINACA-d4 (CRM)

Also known as N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4,5,6,7-tetradeuterio-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide

AB-FUBINACA-d4 (CRM) is a certified reference material intended for use as an internal standard for the quantification of AB-FUBINACA by GC- or LC-MS

ChemicalCAS2747917-48-0MW372.4FormulaC20H17D4FN4O2
CAS number
2747917-48-0
Molecular weight
372.4
Formula
C20H17D4FN4O2
Solubility
Soluble in DMSO
InChIKey
AKOOIMKXADOPDA-NOZADQIMSA-N
Catalogue number
GC40136
Brand
GLPBIO
Computed properties PubChem CID 137700566 · XLogP 3.2 · TPSA 90 Ų · H-bond donors 2
XLogP
3.2
TPSA
90 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27

SMILES [2H]C1=C(C(=C2C(=C1[2H])C(=NN2CC3=CC=C(C=C3)F)C(=O)N[C@@H](C(C)C)C(=O)N)[2H])[2H]

Computed descriptors from PubChem (CID 137700566), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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