LY 125180
Basic information
- CAS
74515-39-2- Standard SMILES
Cc1ccc(OCCC(c2ccccc2)N(C)C)cc1.Cl- InChIKey
XLPKFDWDLKTMQZ-UHFFFAOYSA-N- Molecular formula
- C18H24ClNO
- Average molar mass
- 305.8 g/mol
- Monoisotopic mass
- 305.1546421
Overview
RN given refers to HCl; structure given in first source
Names & identifiers
- Preferred name
- LY 125180
- IUPAC
- N,N-dimethyl-3-(4-methylphenoxy)-1-phenylpropan-1-amine;hydrochloride
- English name
- LY 125180
- Molecular formula
- C18H24ClNO
- Molecular weight
- 305.84226
Names & synonyms
74515-39-2LY 125180Lilly 125180LY125180LY-125180RefChem:154466Benzenemethanamine, N,N-dimethyl alpha-(2-(4-methylphenoxy)ethyl)-, hydrochlorideBenzenemethanamine, N,N-dimethyl-alpha-(2-(4-methylphenoxy)ethyl)-, hydrochlorideN,N-Dimethyl alpha-(2-(4-tolyloxyl)ethyl)benzylamine hydrochlorideN,N-dimethyl-3-(4-methylphenoxy)-1-phenylpropan-1-amine;hydrochlorideorb1700109SCHEMBL11428478
Show more names
DTXSID60996031AKOS040748780DA-55097HY-129682CS-0107433T27871N,N-Dimethyl-3-(4-methylphenoxy)-1-phenylpropan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
74515-39-2- PubChem CID
- 182579
- DTXSID
DTXSID60996031
Properties
Computed structural properties
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 252
Chemistry & industry
Applications
DescriptionLY 125180 is a serotonin antagonist.
UsesLY125180 is a serotonin uptake inhibitor. LY125180 competitively inhibits the uptake of serotonin and norepinephrine by cortical synaptosomes and of dopamine by striatal synaptosomes, with Ki values of 0.06 μM, 2.2 μM and 2.5 μM respectively[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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