Melitracene
Basic information
- CAS
5118-29-6- Standard SMILES
CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21- InChIKey
GWWLWDURRGNSRS-UHFFFAOYSA-N- Molecular formula
- C21H25N
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.1986998
Overview
Melitracen is a member of anthracenes.
Names & identifiers
- Preferred name
- Melitracene
- IUPAC
- 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine
- English name
- Melitracen
- Molecular formula
- C21H25N
- Molecular weight
- 291.43
Names & synonyms
MelitraceneRefChem:156391N,N-dimethyl-3-(9,10-dihydro-10,10-dimethylanthracen-9-yliden)propylamineMelitracen5118-29-6Melitracen [INN]MelitracenoAdelaxDixeran1-Propanamine, 3-(10,10-dimethyl-9(10H)-anthracenylidene)-N,N-dimethyl-ThymeolTrausabun
Show more names
N-7001U-24973TrausbanMelitraceBrn 1980107Einecs 225-858-5Melitracen USP/EP/BP
3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amineQ7T0Y1109ZMelitracen (INN)3-(10,10-dimethylanthracen-9(10H)-ylidene)-N,N-dimethylpropan-1-amineMelitracenumMelitracene [INN-French]Melitracenum [INN-Latin]Melitraceno [INN-Spanish]
Database identifiers
- CAS
5118-29-6- PubChem CID
- 25382
- DTXSID
DTXSID4048274- ChEMBL
CHEMBL110094- ChEBI
CHEBI:135214- UNII
- Q7T0Y1109Z
- EC Number
- 225-858-5
- Nikkaji
- J9.633D
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 378
Experimental & physicochemical properties
Drugs
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals -> Used in Switzerland
Physicochemical properties
- Boiling point
- 423.43 °C · 423.43°C (rough estimate)
- Density
- 0.9801 · 0.9801 (rough estimate)
- refractive index
- 1.49 · 1.4900 (estimate)
- pka
- 9.18 · 9.18±0.28(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 T0Y1109Z · Q7T0Y1109Z
- NIST Chemistry Reference
- 1 · 1-Propanamine, 3-(10,10-dimethyl-9(10H)-anthracenylidene)-N,N-dimethyl-(5118-29-6)
- ATC code
- 6 AA14 · N06AA14
Chemistry & industry
Pharmacology
ATC Code
N - Nervous system
QN - Nervous system
MeSH Pharmacological Classification
Substances that contain a fused three-ring moiety and are used in the treatment of depression. These drugs block the uptake of norepinephrine and serotonin into axon terminals and may block some subtypes of serotonin, adrenergic, and histamine receptors. However, the mechanism of their antidepressant effects is not clear because the therapeutic effects usually take weeks to develop and may reflect compensatory changes in the central nervous system.
Applications
UsesAntidepressant.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Melitracen is a member of anthracenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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