DICL_CP_0330611 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0330611

PubChem CID

3386

Molecular Formula

C₁₇H₁₈F₃NO

Molecular Weight

309.331 g/mol

Synonyms/Alias

[fluoxetine; 54910-89-3; Prozac; Pulvules; Eufor; Animex-On; Fluoxetin; Fluoxetina; Fluval; Portal; Fluoxetinum; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine; Fluoxetina [Spanish]; F...[fluoxetine; 54910-89-3; Prozac; Pulvules; Eufor; Animex-On; Fluoxetin; Fluoxetina; Fluval; Portal; Fluoxetinum; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine; Fluoxetina [Spanish]; Fluoxetinum [INN-Latin]; Fluoxetina [INN-Spanish]; Fluoxetin ratiopharm; Fluoxetine-d5; Methyl({3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl})amine; UNII-01K63SUP8D; N-Methyl-3-(p-trifluoromethylphenoxy)-3-phenylpropylamine; NSC-283480; dl-3-(p-Trifluoromethylphenoxy)-N-methyl-3-phenylpropylamine; 01K63SUP8D; DTXSID7023067; (+-)-N-Methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine; (+-)-N-Methyl-3-phenyl-3-((alphaalphaalpha-trifluoro-p-tolyl)oxy)propylamine; CHEMBL41; 57226-07-0; NSC-758685; CHEBI:5118; DTXCID903067; CHEBI:86990; (+) or (-)-N-Methyl-3-phenyl-3-((alphaalphaalpha-trifluoro-p-tolyl)oxy)propylamine; NSC 283480; NSC 758685; (+/-)-Fluoxetine; NCGC00015428-08; n-methyl-3-phenyl-3-(4-(trifluoromethyl)phenoxy)propan-1-amine; Fluoxetinum (INN-Latin); Methyl-[3-phenyl-3-(4-trifluoromethyl-phenoxy)-propyl]-amine; Fluoxetina (INN-Spanish); Fluoxetine [USAN:INN:BAN]; N-methyl-3-phenyl-3-{[4-(trifluoromethyl)phenyl]oxy}propan-1-amine; BENZENEPROPANAMINE; N-METHYL-G-(4-(TRIFLUOROMETHYL)PHENOXY)-; (+/-)-; N-methyl-3-[4-(trifluoromethyl)phenoxy]-3-(3-tritiophenyl)propan-1-amine; FLUOXETINE (EMA EPAR VETERINARY); Fluoxetine (TN); FLUOXETINE [EMA EPAR VETERINARY]; CAS-54910-89-3; Fluoxetine (USAN/INN); N-Methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine; Benzenepropanamine; N-methyl-gamma-(4-(trifluoromethyl)phenoxy)-; (+-)-; Spectrum_001679; FLUOXETINE [MI]; SpecPlus_000723; FLUOXETINE [INN]; Prestwick0_000511; Prestwick1_000511; Prestwick2_000511; Prestwick3_000511; Spectrum2_001658; Spectrum3_001648; Spectrum4_000613; Spectrum5_001518; FLUOXETINE [USAN]; Benzenepropamine; N-methyl-gamma-(4-(trifluoromethyl)phenoxy)-; (+-)-; FLUOXETINE [VANDF]; Biomol-NT_000152; Epitope ID:224550; (+) or (-)-N-Methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine; SCHEMBL8353; LY-110140 free base; FLUOXETINE [WHO-DD]; Lopac0_000558; BSPBio_000461; BSPBio_003375; GTPL203; KBioGR_001166; KBioSS_002159; cid_62857; DivK1c_006819; SPBio_001815; SPBio_002382; BPBio1_000354; BPBio1_000509; BDBM30130; KBio1_001763; KBio2_002159; KBio2_004727; KBio2_007295; KBio3_002595; 3-(p-Trifluoromethylphenoxy)-N-methyl-3-phenylpropylamine; N06AB03; PS06 - Fluoxetine/Norfluoxetine; HMS2090H14; (+/-)-N-Methyl-3-(p-trifluoromethylphenoxy)-3-phenylpropylamine; AMY32526; BCP28440; HY-B0102; Tox21_110144; (+/-)-N-Methyl-3-p-(p-trifluoromethylphenoxy)-3-phenylpropylamine; (+/-)-N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propylamine]; (+/-)-N-Methyl-gamma-[4-(trifluoromethyl)phenoxy]benzenepropanamine; AB9783; BBL012251; MFCD00072041; NS-140; NSC283480; STK734483; AKOS003663021; Tox21_110144_1; AC-8478; CCG-204648; DB00472; SDCCGSBI-0050541.P004; (+/-)-N-Methyl-3-phenyl-3-[(alphaalphaalpha-trifluoro-p-tolyl)oxy]propylamine; NCGC00015428-06; NCGC00015428-07; NCGC00015428-10; NCGC00015428-11; NCGC00015428-12; NCGC00015428-13; NCGC00015428-15; NCGC00015428-27; NCGC00024879-03; NCGC00024879-04; AS-44989; SBI-0050541.P003; DB-015148; AB00053774; NS00000284; D00326; EN300-199668; AB00053774-13; AB00053774-14; AB00053774_15; AB00053774_16; L000931; Q422244; BRD-A31159102-001-01-9; BRD-A31159102-003-05-6; BRD-A31159102-003-16-3; SR-01000002988-18; LY-110140;LY 110140;LY110140; N-methyl 3-(p-trifluoromethylphenoxy)-3-phenylpropylamine; N-Methyl-3-phenyl-3-(p-trifluoromethylphenoxy)propylamine; Benzenepropanamine; N-methyl-?-[4-(trifluoromethyl)phenoxy]-; N-methyl-gamma-(4-(trifluoromethyl)-phenoxy)-benzenepropanamine; benzenepropanamine; N-methyl-gamma-[4-(trifluoromethyl)phenoxy]-; DL-N-METHYL-3-(P-TRIFLUOROMETHYLPHENOXY)-3-PHENYLPROPYLAMINE; N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine; N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine #; Benzenepropanamine; N-methyl-gamma-[4-(trifluoromethyl)phenoxy]-; (+/-)-; N-METHYL-.GAMMA.-(4-(TRIFLUOROMETHYL)PHENOXY)BENZENEPROPANAMINE; N-methyl-3-phenyl-3-[(alphaalphaalpha-trifluoro-p-tolyl)oxy]propylamine; (+/-)-N-METHYL-3-PHENYL-3-((alphaALPHA.alpha-TRIFLUORO-P-TOLYL)OXY)PROPYLAMINE; (.+/-.)-N-Methyl-3-phenyl-3-[(.alpha..alpha..alpha.-trifluoro-p-tolyl)oxy]propylamine; (.+/-.)-N-Methyl-3-phenyl-3-[(.alpha.la.alpha.-trifluoro-p-tolyl)oxy]propylamine; Benzenepropanamine; N-methyl-.gamma.-[4-(trifluoromethyl)phenoxy]-; (.+/-.)-; (+/-)-N-METHYL-3-PHENYL-3-((.ALPHA.ALPHA..ALPHA.-TRIFLUORO-P-TOLYL)OXY)PROPYLAMINE]

InChI Key

RTHCYVBBDHJXIQ-UHFFFAOYSA-N

InChI

InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-...

IUPAC Name

N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

CAS Number

54910-89-3

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

22 23 0 0 0 0 0 0 0 0999 V2000
-2.1244 3.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6352 2.9909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0461 1...

Download SDF File (1967 bytes)

Experimental Data

Activity Data

Target Ion Channel

G protein activated inward rectifier potassium channel 1 (Kir3.1)/3.4

Uniprot Accession Number

P63251/P48548

Function

Agonist

Species

Rattus norvegicus (Rat)

IC₅₀

N/A (Not available)

EC₅₀

EC₅₀: 40900 nM

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.3

Holding Potential

−75 mV mV

Temperature

Not mention

Test Method

Patch-clamping

Test Species

Not specified

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1124/mol.118.112359

URL

N/A (Not available)

PMID

29895592

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

4.435

Complexity

79.7987

TPSA (Å²)

21.26

H-Bond Donors

H-Bond Acceptors

Ring Count

New Search

Molecular Details

Basic Molecular Information

Basic Information

Structure Information

Chemical Structure Visualization

Experimental Data

Activity Data

Experimental Conditions

Binding Information

Disease Information

References

Computed Properties