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Chemical structure of MDMB-FUBINACA metabolite M1

GC44146

MDMB-FUBINACA metabolite M1

Also known as (2S)-2-[[1-[(4-fluorophenyl)methyl]indazole-3-carbonyl]amino]-3,3-dimethylbutanoic acid

MDMB-FUBINACA metabolite M1 is an analytical reference standard that is structurally classified as a synthetic cannabinoid

ChemicalCAS2693397-47-4MW383.4FormulaC21H22FN3O3
CAS number
2693397-47-4
Molecular weight
383.4
Formula
C21H22FN3O3
Solubility
DMF： 30 mg/mL,DMSO： 30 mg/mL,Ethanol： 30 mg/mL,PBS (pH 7·2)： 0·10 mg/mL
InChIKey
IYHKZKWEKNIMPG-GOSISDBHSA-N
Catalogue number
GC44146
Brand
GLPBIO
Computed properties PubChem CID 129522097 · XLogP 4.2 · TPSA 84.2 Ų · H-bond donors 2
XLogP
4.2
TPSA
84.2 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
28

SMILES CC(C)(C)[C@@H](C(=O)O)NC(=O)C1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)F

Computed descriptors from PubChem (CID 129522097), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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