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Chemical structure of S1R agonist 1 hydrochloride

GC71102

S1R agonist 1 hydrochloride

Also known as 4-benzyl-1-(2-phenoxyethyl)piperidine;hydrochloride

S1R agonist 1 (Compound 6b) hydrochloride is a selective S1R agonist with Kis of 0·93 nM and 72 nM for S1R and S2R, respectively

ChemicalCAS242487-82-7MW331.88FormulaC20H26ClNO
CAS number
242487-82-7
Molecular weight
331.88
Formula
C20H26ClNO
Solubility
DMSO : 100 mg/mL (301·31 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
ZMNFHWLFDVATLX-UHFFFAOYSA-N
Catalogue number
GC71102
Brand
GLPBIO
Computed properties PubChem CID 117067724 · TPSA 12.5 Ų · H-bond donors 1 · H-bond acceptors 2
TPSA
12.5 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
23

SMILES C1CN(CCC1CC2=CC=CC=C2)CCOC3=CC=CC=C3.Cl

Computed descriptors from PubChem (CID 117067724), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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