Basic information
- CAS
22136-26-1- Standard SMILES
CNCCCC1(C)C(=O)N(c2ccccc2)c2ccccc21- InChIKey
HBGWAZBZXJBYQD-UHFFFAOYSA-N- Molecular formula
- C19H22N2O
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.17321333
Overview
Amedalin is a selective norepinephrine reuptake inhibitor developed in the 1970s. It has no significant effect on reuptake of serotonin and dopamine and no antihistamine or anticholinergic properties. This drug was never marketed.
Names & identifiers
- Preferred name
- Amedalin
- IUPAC
- 3-methyl-3-[3-(methylamino)propyl]-1-phenylindol-2-one
- English name
- Amedalin
- Molecular formula
- C19H22N2O
- Molecular weight
- 294.39
Names & synonyms
amedalin22136-26-1Amedalin [INN]3-methyl-3-[3-(methylamino)propyl]-1-phenylindol-2-oneUNII-2OWK6X9N162OWK6X9N163-Methyl-3-[3-(methylamino)propyl]-1-phenyl-2-indolinone3-methyl-3-(3-(methylamino)propyl)-1-phenyl-2-indolinoneAmedalinaAmedalineorb1698481CHEMBL2110769
Show more names
3-Methyl-3-[3-(methylamino)propyl]-1-phenylindolin-2-one2H-Indol-2-one, 1,3-dihydro-3-methyl-3-[3-(methylamino)propyl]-1-phenyl-
SCHEMBL29388118DTXSID40865034AKOS040750401T29961LQ47420863-methyl-3-[3-(methylamino)propyl]-1-phenyl-1,3-dihydro-2H-indol-2-one2H-INDOL-2-ONE, 1,3-DIHYDRO-3-METHYL-3-(3-(METHYLAMINO)PROPYL)-1-PHENYL-
Database identifiers
- CAS
22136-26-1- PubChem CID
- 31075
- DTXSID
DTXSID40865034- ChEMBL
CHEMBL2110769- UNII
- 2OWK6X9N16
- Nikkaji
- J11.950D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 391
Physicochemical properties
- Boiling point
- 487.4 · 487.4±34.0 °C(Predicted)
- Density
- 1.098 · 1.098±0.06 g/cm3(Predicted)
- pka
- 10.54 · 10.54±0.10(Predicted)
- FDA UNII
- 2 OWK6X9N16 · 2OWK6X9N16
Chemistry & industry
Applications
UsesAntidepressant.
Suppliers2 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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