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Chemical structure of AEF0117

GC71409

AEF0117

Also known as 1-[(3S,8S,9S,10R,13S,14S,17S)-3-[(4-methoxyphenyl)methoxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

AEF0117 is a signaling-specific inhibitor of the cannabinoid receptor 1 (CB1-SSi)

ChemicalCAS1610878-71-1MW436.63FormulaC29H40O3
CAS number
1610878-71-1
Molecular weight
436.63
Formula
C29H40O3
InChIKey
AAZPIQPULVRHOW-SFKJMYEFSA-N
Catalogue number
GC71409
Brand
GLPBIO
Computed properties PubChem CID 139433957 · XLogP 6.2 · TPSA 35.5 Ų · H-bond donors 0
XLogP
6.2
TPSA
35.5 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
32

SMILES CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OCC5=CC=C(C=C5)OC)C)C

Computed descriptors from PubChem (CID 139433957), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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