Terodiline
Basic information
- CAS
15793-40-5- Standard SMILES
CC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C- InChIKey
UISARWKNNNHPGI-UHFFFAOYSA-N- Molecular formula
- C20H27N
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.21434987
Overview
Terodiline is a diarylmethane.
Names & identifiers
- Preferred name
- Terodiline
- IUPAC
- N-tert-butyl-4,4-diphenylbutan-2-amine
- English name
- 1-METHYL-3,3-DIPHENYLPROPYLAMINE
- Molecular formula
- C20H27N
- Molecular weight
- 281.44
Names & synonyms
Terodiline15793-40-5TerodilinaTerodilinumN-tert-Butyl-1-methyl-3,3-diphenylpropylamine70KG06964WDTXSID60860001tert-butyl(4,4-diphenylbutan-2-yl)amineRefChem:188013N-tert-butyl-3,3-diphenyl-1-methylpropylamineDTXCID30197331G04BD05
Show more names
BicorRARECHEM AN KC 0196Terodiline [inn:ban:jan]4,4-diphenyl-2-butanamine
N-tert-butyl-4,4-diphenylbutan-2-amine1-METHYL-3,3-DIPHENYLPROPYLAMINEN-(tert-Butyl)-4,4-diphenylbutan-2-aminePropylamine, N-tert-butyl-1-methyl-3,3-diphenyl-Benzenepropanamine, N-(1,1-dimethylethyl)-.alpha.-methyl-.gamma.-phenyl-NCGC00183030-01Terodilinum [INN-Latin]Terodilina [INN-Spanish]
Database identifiers
- CAS
15793-40-5- PubChem CID
- 23480
- DTXSID
DTXSID60860001- ChEMBL
CHEMBL363295- ChEBI
CHEBI:135168- UNII
- 70KG06964W
- Nikkaji
- J9.014J
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Melting point
- 25 °C · <25 °C
- Boiling point
- 1 · bp1.0 130-132°
- Density
- 0.956 · 0.956±0.06 g/cm3(Predicted)
- pka
- 10.47 · 10.47±0.38(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 70 KG06964W · 70KG06964W
- ATC code
- 4 BD05 · G04BD05
Chemistry & industry
Pharmacology
ATC Code
G - Genito urinary system and sex hormones
QG - Genito urinary system and sex hormones
MeSH Pharmacological Classification
A class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.
Applications
UsesTerodiline, an antispasmodic agent, blocks hERG current with the IC50 of 375 nM.Terodiline has both anticholinergic and calcium antagonist properties, and effectively reduces abnormal bladder contractions caused by detrusor instability.Terodiline can be used for the research of urinary incontinence[1][2].
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Compound notes
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