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Chemical structure of Bitopertin R enantiomer

GC35527

Bitopertin R enantiomer

Also known as [4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[5-methylsulfonyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone

Bitopertin R enantiomer (RG1678 R enantiomer; RO4917838 R enantiomer) is the R-enantiomer of Bitopertin

ChemicalCAS845614-12-2MW543.46FormulaC21H20F7N3O4S
CAS number
845614-12-2
Molecular weight
543.46
Formula
C21H20F7N3O4S
Solubility
Soluble in DMSO
InChIKey
YUUGYIUSCYNSQR-GFCCVEGCSA-N
Catalogue number
GC35527
Brand
GLPBIO
Computed properties PubChem CID 46837366 · XLogP 4 · TPSA 88.2 Ų · H-bond donors 0
XLogP
4
TPSA
88.2 Ų
H-bond donors
0
H-bond acceptors
13
Rotatable bonds
5
Heavy atoms
36

SMILES C[C@H](C(F)(F)F)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)F

Computed descriptors from PubChem (CID 46837366), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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