3-Hydroxy-2-phenyl-N-[(1R)-1-phenylpropyl]quinoline-4-carboxamide hydrochloride
Basic information
- CAS
204519-66-4- Standard SMILES
CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1.Cl- InChIKey
BHCSUEHQURQVLD-UHFFFAOYSA-N- Molecular formula
- C25H23ClN2O2
- Average molar mass
- 418.9 g/mol
- Monoisotopic mass
- 418.1448057
Names & identifiers
- Preferred name
- 3-Hydroxy-2-phenyl-N-[(1R)-1-phenylpropyl]quinoline-4-carboxamide hydrochloride
- IUPAC
- 3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;hydrochloride
- English name
- SB 223412-a
- Molecular formula
- C25H22N2O2.ClH
- Molecular weight
- 418.92
Names & synonyms
SB 223412-ASCHEMBL27458094DTXSID50942628EIA51966PD1179093-Hydroxy-2-phenyl-N-[(1R)-1-phenylpropyl]quinoline-4-carboxamide hydrochloride3-Hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboximidic acid--hydrogen chloride (1/1)SB223412 hydrochlorideSB-223412 hydrochlorideSB 223412 hydrochlorideTalnetant (hydrochloride)(S)-3-Hydroxy-2-phenyl-4-((1-phenylpropyl)carbamoyl)quinolin-1-ium chloride
Show more names
SB-223412 HYDROCHLORIDESB223412 HYDROCHLORIDESB 223412 HYDROCHLORIDE
Database identifiers
- CAS
204519-66-4- PubChem CID
- 44153108
- DTXSID
DTXSID50942628
Properties
Computed structural properties
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 527
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 25 ℃: · 25℃: DMSO
- form
- Powder
- FDA UNII
- 1 ZIJ8F59E · C1ZIJ8F59E
Chemistry & industry
Applications
UsesTreatment of symptoms associated with bladder dysfunction (SABD), including urinary urgency, frequency and/or urinary incontinence (NK-3 receptor antagonist).
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Compound notes
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