DICL_CP_0330629 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0330629

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-((alpha;alpha;alpha-trifluoro-p-tolyl)oxy)propylamine; CHEMBL41; 57226-07-0; NSC-758685; CHEBI:5118; DTXCID903067; CHEBI:86990; (+) or (-)-N-Methyl-3-phenyl-3-((alpha;alpha;alpha-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-[(alpha;alpha;alpha-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-[(alpha;alpha;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.;.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

40 41 0 0 0 0 0 0 0 0999 V2000
-3.1153 -3.6858 0.9524 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1898 -2.6562 1.4279 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9342 -1.674...

Download SDF File (3410 bytes)

Experimental Data

Activity Data

Target Ion Channel

Volume-regulated anion channel (VRAC) (IClsubunitswell)

Uniprot Accession Number

Q8IWT6

Function

Blocker

Species

Bos taurus (Bovine)

IC₅₀

N/A (Not available)

EC₅₀

N/A (Not available)

K_i

K_i: 320 nM

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 8.8

Holding Potential

−50 mV mV

Temperature

20–23 °C

Test Method

Patch-clamping

Test Species

bovine pulmonary artery endothelial (CPAE) cell

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1038/sj.bjp.0702314

URL

N/A (Not available)

PMID

10077245

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