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Chemical structure of AC-099 hydrochloride

GC71300

AC-099 hydrochloride

Also known as 2-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methylideneamino]guanidine;hydrochloride

AC-099 hydrochloride (compound 3) is a selective NPFF2R full agonist (EC50=1189 nM) and NPFF1R partial agonist (EC50=2370 nM)

ChemicalCAS849335-07-5MW301.1FormulaC9H9Cl2F3N4
CAS number
849335-07-5
Molecular weight
301.1
Formula
C9H9Cl2F3N4
Solubility
DMSO ： 100 mg/mL (332·12 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
OMYOUCJVJYJITH-CQCNNJTASA-N
Catalogue number
GC71300
Brand
GLPBIO
Computed properties PubChem CID 44542177 · TPSA 76.8 Ų · H-bond donors 3 · H-bond acceptors 5
TPSA
76.8 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
18

SMILES C1=CC(=C(C=C1/C=N/N=C(N)N)C(F)(F)F)Cl.Cl

Computed descriptors from PubChem (CID 44542177), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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