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Chemical structure of UR-144 Degradant N-pentanoic acid metabolite

GC40657

UR-144 Degradant N-pentanoic acid metabolite

Also known as 5-[3-(3,3,4-trimethylpent-4-enoyl)indol-1-yl]pentanoic acid

UR-144 is a potent synthetic cannabinoid (CB) that preferentially binds the peripheral CB2 receptor (Ki = 1·8 nM) over the central CB1 receptor (Ki = 150 nM)

ChemicalCAS1630022-97-7MW341.5FormulaC21H27NO3
CAS number
1630022-97-7
Molecular weight
341.5
Formula
C21H27NO3
Solubility
DMF: 5 mg/ml,DMSO: 5 mg/ml,Ethanol: 12·5 mg/ml,Ethanol:PBS (pH 7·2)(1:2): 0·3 mg/ml
InChIKey
HPKJJMLBDDTMFT-UHFFFAOYSA-N
Catalogue number
GC40657
Brand
GLPBIO
Computed properties PubChem CID 124518755 · XLogP 4.4 · TPSA 59.3 Ų · H-bond donors 1
XLogP
4.4
TPSA
59.3 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
25

SMILES CC(=C)C(C)(C)CC(=O)C1=CN(C2=CC=CC=C21)CCCCC(=O)O

Computed descriptors from PubChem (CID 124518755), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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