Compound Summary
114247-06-2
Compound Information
114247-06-2
Compound Name: | 114247-06-2 |
Compound CID: | 9884593 |
Synonyms: | 114247-06-2 S-(+)-Fluoxetine hydrochloride (S)-Fluoxetine Hydrochloride (+)-(S)-Fluoxetine Hydrochloride UNII-Z4S3JZC091 More... |
Iupac Name: | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride |
InChI: | InChI=1S/C17H18F3NO.ClH/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,11-12H2,1H3;1H/t16-;/m0./s1 |
InChIKey: | GIYXAJPCNFJEHY-NTISSMGPSA-N |
Canonical Smiles: | CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl |
Isomeric Smiles: | CNCC[C@@H](C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl |
Molecular Weight: | 345.8 |
Molecular Formula: | C17H19ClF3NO |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
114247-06-2
Molecular Weight: | 345.8 |
Molecular Formula: | C17H19ClF3NO |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 23 |
Complexity: | 308 |
Synonyms
114247-06-2
| 114247-06-2 | 114247-06-2 |
|---|---|
114247-06-2 |
S-(+)-Fluoxetine hydrochloride |
(S)-Fluoxetine Hydrochloride |
(+)-(S)-Fluoxetine Hydrochloride |
UNII-Z4S3JZC091 |
(S)-Fluoxetinehydrochloride |
Z4S3JZC091 |
CHEBI:86997 |
(3S)-N-methyl-3-phenyl-3-4-(trifluoromethyl)phenoxypropan-1-amine;hydrochloride |
Benzenepropanamine, N-methyl-gamma-(4-(trifluoromethyl)phenoxy)-, hydrochloride (1:1), (gammaS)- |
Benzenepropanamine, N-methyl-gamma-4-(trifluoromethyl)phenoxy-, hydrochloride (1:1), (gammaS)- |
Fluoxetine hydrochloride, (S)- |
(+)-Fluoxetine Hydrochloride |
S-(+)-Fluoxetinehydrochloride |
Fluoxetine hydrochloride, (+)- |
MLS002153300 |
(S)-fluoxetine HCl |
S-(+)-Fluoxetine HCl |
SMR001230719 |
S(+)-Fluoxetine Hydrochloride |
SCHEMBL7081402 |
CHEMBL1257031 |
AOB5941 |
DTXSID00872289 |
(s)-(+)-fluoxetine hydrochloride |
Tox21_500554 |
MFCD04040001 |
AKOS025310750 |
CCG-221858 |
LP00554 |
NCGC00093940-01 |
NCGC00261239-01 |
EU-0100554 |
F 1553 |
910S893 |
A803159 |
SR-01000939463 |
SR-01000939463-1 |
Q27159319 |
S-(+)-Fluoxetine hydrochloride, >=98% (HPLC), solid |
UNII-I9W7N6B1KJ component GIYXAJPCNFJEHY-NTISSMGPSA-N |
(S)-(+)-N-Methyl-3-(4-trifluoromethylphenoxy)-3-phenylpropylamine HCl |
(3S)-N-methyl-3-phenyl-3-4-(trifluoromethyl)phenoxypropan-1-amine hydrochloride |
(3S)-N-methyl-3-phenyl-3-4-(trifluoromethyl)phenoxypropan-1-aminium chloride |
(S)-34(Trifluoromethyl)phenoxy-N-methyl-3-phenylpropan-1-amine hydrochloride |
methyl-(3S)-3-phenyl-3-4-(trifluoromethyl)phenoxypropylazanium;chloride |
Experimental Data
114247-06-2
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -8.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
114247-06-2
Statistics Data
114247-06-2
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -8.000000000000000 | 1 | 1 |
Statistics Data Visualization
114247-06-2
