| CAS Number | 79088-29-2 |
| Catalog Number | AG008N1P(AGN-PC-0WA2QH) |
| Chemical Name | meta-Fluoxetine (hydrochloride) |
| IUPAC Name | N-methyl-3-phenyl-3-[3-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride |
| InChI | InChI=1S/C17H18F3NO.ClH/c1-21-11-10-16(13-6-3-2-4-7-13)22-15-9-5-8-14(12-15)17(18,19)20;/h2-9,12,16,21H,10-11H2,1H3;1H |
| InChI Key | JCRCCLNIWABPIS-UHFFFAOYSA-N |
| MDL Number | MFCD18382385 |
| Molecular Formula | C17H19ClF3NO |
| Molecular Weight | 345.7871 |
| SMILES | CNCCC(C1=CC=CC=C1)OC2=CC(C(F)(F)F)=CC=C2.Cl |
| Synonyms | Meta Fluoxetine Hydrochloride,
79088-29-2,
Fluoxetine Impurity C HCl,
CTK8G0812,
DTXSID80724575,
AKOS027325519,
FT-0671036,
Fluoxetine impurity C, European Pharmacopoeia (EP) Reference Standard,
N-Methyl-|A-[3-(trifluoromethyl)phenoxy]benzenepropanamine Hydrochloride,
(3RS)-N-Methyl-3-phenyl-3-[3-(trifluoromethyl)phenoxy]propan-1-amine Hydrochloride,
Fluoxetine Related Compound A, United States Pharmacopeia (USP) Reference Standard,
N-methyl-3-phenyl-3-[3-(trifluoromethyl)phenoxy]propan-1-amine,hydrochloride,
N-Methyl-3-phenyl-3-[3-(trifluoromethyl)phenoxy]propan-1-amine--hydrogen chloride (1/1),
N-methyl-3-phenyl-3-[3-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride,
JCRCCLNIWABPIS-UHFFFAOYSA-N,
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| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 345.79g/mol |
| Monoisotopic Mass | 345.111g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number