Elantrine
Basic information
- CAS
1232-85-5- Standard SMILES
CN(C)CCC=C1c2ccccc2CN(C)c2ccccc21- InChIKey
YFFIQHDMUUCCJP-UHFFFAOYSA-N- Molecular formula
- C20H24N2
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.19394877
Names & identifiers
- Preferred name
- Elantrine
- IUPAC
- N,N-dimethyl-3-(5-methyl-6H-benzo[c][1]benzazepin-11-ylidene)propan-1-amine
- English name
- Elantrine
- Molecular formula
- C20H24N2
- Molecular weight
- 292.42
Names & synonyms
ELANTRINE1232-85-5MV4FO7V23VRMI 80,029EX 10-029-CELANTRINE [INN]Elantrine [USAN:INN]ELANTRINE [USAN]RMI-80029UNII-MV4FO7V23VNSC-172253EX-10-029-C
Show more names
FantrineRMI 80029EX 10-02911-[3-(Dimethylamino)propylidene]-5,6-dihydro-5-methyl-11H-dibenz[b,e]azepine
Elantrine (USAN)NSC 1722531-Propanamine, 3-(5,6-dihydro-5-methyl-11H-dibenz(b,e)azepin-11-ylidene-N,N-dimethyl-11-(3-(Dimethylamino)propylidene)-5,6-dihydro-5-methylmorphanthridine11-[3-(Dimethylamino)propylidene]-5,6-dihydro-5-methylmorphanthridineRefChem:136449NSC172253N,N-dimethyl-3-(5-methyl-6H-benzo[c][1]benzazepin-11-ylidene)propan-1-amine
Database identifiers
- CAS
1232-85-5- PubChem CID
- 14690
- ChEMBL
CHEMBL4297110- UNII
- MV4FO7V23V
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Melting point
- 138 · 138-139 °C
- Boiling point
- 429.599 · 429.599±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.088 · 1.088±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.376 · 9.376±0.28(predicted)
- FDA UNII
- 4 FO7V23V · MV4FO7V23V
Chemistry & industry
Applications
UsesAnticholinergic.
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Related reactions
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Compound notes
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