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Ralmitaront

CAT: 0127-BUP07615-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP07615-01Size:5 mg
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CAS Number
2133417-13-5
Synonyms
RO6889450
Purity
=98%
Smiles
CCc1[nH]nc(C(=O)Nc2ccc(cc2)[C@H]2CNCCO2)c1C

Chemical Information

Ralmitaront

Ralmitaront is under investigation in clinical trial NCT04512066 (A Trial of the Efficacy and the Safety of RO6889450 (Ralmitaront) vs Placebo in Patients With an Acute Exacerbation of Schizophrenia or Schizoaffective Disorder).

CAS Number2133417-13-5
PubChem CID130429734
IUPAC Name5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide
Molecular FormulaC17H22N4O2
Molecular Weight314.4
XLogP1.6
Topological Polar Surface Area79
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity398
SMILES
CCC1=C(C(=NN1)C(=O)NC2=CC=C(C=C2)[C@H]3CNCCO3)C
InChI
InChI=1S/C17H22N4O2/c1-3-14-11(2)16(21-20-14)17(22)19-13-6-4-12(5-7-13)15-10-18-8-9-23-15/h4-7,15,18H,3,8-10H2,1-2H3,(H,19,22)(H,20,21)/t15-/m1/s1
InChIKey
XHHXGKRFUPEPFM-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of Ralmitaront
CAS: 2133417-13-5
CID: 130429734
Formula: C17H22N4O2
MW: 314.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.4
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass314.17427596
Monoisotopic Mass314.17427596
Topological Polar Surface Area79 Ų
Heavy Atom Count23
Formal Charge0
Complexity398
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA4996-5.1Ralmitaront
585100Ralmitaront HCl

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