CAS 100568-02-3 (S)-Fluoxetine (HCID 1548968)

基本情報

CAS: 100568-02-3
標準SMILES: CNCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIKey: RTHCYVBBDHJXIQ-INIZCTEOSA-N
分子式: C17H18F3NO
平均分子量: 309.33 g/mol
単同位体質量: 309.13404868

名称と識別子

優先名称: (S)-Fluoxetine
IUPAC: (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
英語名: (S)-N-methyl-3-phenyl-3-(4-(trifluoromethyl)phenoxy)propan-1-amine
分子式: C17H18F3NO
分子量: 309.3261296

名称と別名

(S)-Fluoxetine100568-02-3(-)-fluoxetine(S)-ProzacFluoxetine, (S)-Fluoxetine, (-)-(s)-n-methyl-3-(4-trifluoromethylphenoxy)-3-phenylpropylamine(S)-(-)-fluoxetine6MYD4C025QCHEBI:86992DTXSID60904656(S)-N-methyl-3-(4-trifluoromethylphenyloxy)-3-(phenyl)propylamine

名称をさらに表示

(S)-N-methyl-3-phenyl-3-(4-(trifluoromethyl)phenoxy)propan-1-amineBenzenepropanamine, N-methyl-γ-[4-(trifluoromethyl)phenoxy]-, (γS)-

(S)-N-methyl-gamma-(4-trifluoromethylphenoxy)-3-phenylpropylamine(S)-N-methyl-3-phenyl-3-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]propylaminemethyl[(3s)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amineBenzenepropanamine, N-methyl-gamma-(4-(trifluoromethyl)phenoxy)-, (gammaS)-methyl((3S)-3-phenyl-3-(4-(trifluoromethyl)phenoxy)propyl)amine(S)-N-methyl-3-phenyl-3-((alpha,alpha,alpha-trifluoro-p-tolyl)oxy)propylamineRefChem:1051186DTXCID001333775

データベース識別子

CAS: 100568-02-3
PubChem CID: 1548968
DTXSID: DTXSID60904656
ChEMBL: CHEMBL1169388
ChEBI: CHEBI:86992
UNII: 6MYD4C025Q
Nikkaji: J238.667D

物性

構造計算による物性

XLogP: 4
極性表面積: 21.3 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 6
重原子数: 22
形式電荷: 0
複雑度: 308

物理化学的性質

沸点: 395.1 · 395.1±42.0 °C(Predicted)
比重(密度): 1.159 · 1.159±0.06 g/cm3(Predicted)
酸解離定数(Pka): 10.05 · 10.05±0.10(Predicted)

化学と産業

薬理情報

Metabolism/Metabolites(s)-fluoxetine has known human metabolites that include (s)-Norfluoxetine, 3-(methylamino)-1-phenylpropan-1-one, and p-Trifluoromethyl phenol.

サプライヤー4 社

Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]

苏州美石生物科技有限公司1173954148q · [email protected]

药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]

山东子易医药有限公司13173053288 · [email protected]

化合物ノート

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