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Chemical structure of Ralmitaront

GC63167

Ralmitaront

Also known as 5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide

Ralmitaront (RO6889450), a potent and orally active partial agonist of the trace amine-associated receptor 1 (TAAR1), acts as a neuroleptic agent

ChemicalCAS2133417-13-5MW314.38FormulaC17H22N4O2
CAS number
2133417-13-5
Molecular weight
314.38
Formula
C17H22N4O2
Solubility
DMSO ： 100 mg/mL (318·09 mM; Need ultrasonic)
InChIKey
XHHXGKRFUPEPFM-OAHLLOKOSA-N
Catalogue number
GC63167
Brand
GLPBIO
Computed properties PubChem CID 130429734 · XLogP 1.6 · TPSA 79 Ų · H-bond donors 3
XLogP
1.6
TPSA
79 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23

SMILES CCC1=C(C(=NN1)C(=O)NC2=CC=C(C=C2)[C@H]3CNCCO3)C

Computed descriptors from PubChem (CID 130429734), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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