Basic information
- CAS
204519-66-4- Standard SMILES
CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1.Cl- InChIKey
BHCSUEHQURQVLD-BDQAORGHSA-N- Molecular formula
- C25H23ClN2O2
- Average molar mass
- 418.9 g/mol
- Monoisotopic mass
- 418.1448057
Names & identifiers
- Preferred name
- Talnetant Hydrochloride
- IUPAC
- 3-hydroxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide;hydrochloride
- English name
- SB 223412-a
- Molecular formula
- C25H22N2O2.ClH
- Molecular weight
- 418.92
Names & synonyms
Talnetant hydrochloride204519-66-4Talnetant HClTalnetant hydrochloride [USAN]UNII-C1ZIJ8F59EC1ZIJ8F59ESB-223412-ASB 223412ATalnetant hydrochloride (USAN)TALNETANT HYDROCHLORIDE [WHO-DD](S)-3-Hydroxy-2-phenyl-N-(1-phenylpropyl)-4-quinolinecarboxamide monohydrochlorideN-((S)-alpha-Ethylbenzyl)-3-hydroxy-2-phenylquinoline-4-carboxamide monohydrochloride
Show more names
SB 223412-aSB223412 hydrochlorideSB-223412 hydrochlorideSB 223412 hydrochloride(S)-3-Hydroxy-2-phenyl-4-((1-phenylpropyl)carbamoyl)quinolin-1-ium chloride3-Hydroxy-2-phenyl-N-[(1R)-1-phenylpropyl]quinoline-4-carboxamide hydrochlorideSB-223412 HYDROCHLORIDESB223412 HYDROCHLORIDESB 223412 HYDROCHLORIDESB 223412-A
4-Quinolinecaeboxamide, 3-hydroxy-2-phenyl-N-((1S)-1-phenylpropyl)-, hydrochlorideRefChem:187319Talnetant (hydrochloride)3-hydroxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide;hydrochlorideorb1687840SCHEMBL5154081CHEMBL2146089SCHEMBL29407582
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).
Suppliers7 total
銳迪國際科技有限公司18024082417 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
Musechem+1-800-259-7612 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
1 records
Compound notes
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