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Chemical structure of Repinotan hydrochloride

GC64423

Repinotan hydrochloride

Also known as 2-[4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]butyl]-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride

Repinotan hydrochloride (BAY x 3702) is a potent, selective, brain-penetrant and orally active 5-HT1A receptor agonist, with Ki values of 0·19 nM (calf hippocampus), 0·25 nM (rat and human cortex), and 0·59 nM (rat hippocampus Repinotan hydrochloride has a weak affinity for other related receptors

ChemicalCAS144980-77-8MW436.95FormulaC21H25ClN2O4S
CAS number
144980-77-8
Molecular weight
436.95
Formula
C21H25ClN2O4S
InChIKey
IGKYREHZJIHPML-UNTBIKODSA-N
Catalogue number
GC64423
Brand
GLPBIO
Computed properties PubChem CID 198756 · TPSA 84.1 Ų · H-bond donors 2 · H-bond acceptors 5
TPSA
84.1 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
29

SMILES C1CC2=CC=CC=C2O[C@H]1CNCCCCN3C(=O)C4=CC=CC=C4S3(=O)=O.Cl

Computed descriptors from PubChem (CID 198756), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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