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Chemical structure of SSD114 hydrochloride

GC34362

SSD114 hydrochloride

Also known as N-cyclohexyl-4-methoxy-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride

SSD114 hydrochloride is a novel GABAB receptor positive allosteric modulator

ChemicalCAS2319790-02-6MW387.83FormulaC18H21ClF3N3O
CAS number
2319790-02-6
Molecular weight
387.83
Formula
C18H21ClF3N3O
Solubility
DMSO : 130 mg/mL (335·20 mM; Need ultrasonic); H2O : 2 mg/mL (5·16 mM; ultrasonic and warming and heat to 60°C)
InChIKey
YXQSTPASDICGCA-UHFFFAOYSA-N
Catalogue number
GC34362
Brand
GLPBIO
Computed properties PubChem CID 131839612 · TPSA 47 Ų · H-bond donors 2 · H-bond acceptors 7
TPSA
47 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
26

SMILES COC1=NC(=NC(=C1)C2=CC=C(C=C2)C(F)(F)F)NC3CCCCC3.Cl

Computed descriptors from PubChem (CID 131839612), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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