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Chemical structure of JWH 081 N-pentanoic acid metabolite-d5

GC47504

JWH 081 N-pentanoic acid metabolite-d5

Also known as 5-[2,4,5,6,7-pentadeuterio-3-(4-methoxynaphthalene-1-carbonyl)indol-1-yl]pentanoic acid

A neuropeptide with diverse biological activities

ChemicalCAS2749394-82-7MW406.5FormulaC25H18D5NO4
CAS number
2749394-82-7
Molecular weight
406.5
Formula
C25H18D5NO4
Solubility
DMF: 50 mg/ml,DMSO: 20 mg/ml,Ethanol: 0·5 mg/ml
InChIKey
WPMGCTPEKHVDAS-JDZKJDKDSA-N
Catalogue number
GC47504
Brand
GLPBIO
Computed properties PubChem CID 137699785 · XLogP 4.7 · TPSA 68.5 Ų · H-bond donors 1
XLogP
4.7
TPSA
68.5 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
30

SMILES [2H]C1=C(C(=C2C(=C1[2H])C(=C(N2CCCCC(=O)O)[2H])C(=O)C3=CC=C(C4=CC=CC=C43)OC)[2H])[2H]

Computed descriptors from PubChem (CID 137699785), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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