3-Thiophenepropanamine, N,N-dimethyl-gamma-(1-naphthalenyloxy)-, ethanedioate(1:1)
基本情報
- CAS
116817-26-6- 標準SMILES
CN(C)CCC(Oc1cccc2ccccc12)c1ccsc1.O=C(O)C(=O)O- InChIKey
NGBZDOTXQWKUDT-UHFFFAOYSA-N- 分子式
- C21H23NO5S
- 平均分子量
- 401.5 g/mol
- 単同位体質量
- 401.12969401
名称と識別子
- 優先名称
- 3-Thiophenepropanamine, N,N-dimethyl-gamma-(1-naphthalenyloxy)-, ethanedioate(1:1)
- IUPAC
- N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine;oxalic acid
- 英語名
- 3-Thiophenepropanamine, N,N-dimethyl-gamma-(1-naphthalenyloxy)-, ethanedioate(1:1)
- 分子式
- C19H21NOS.C2H2O4
- 分子量
- 401.48
名称と別名
116817-26-63-THIOPHENEPROPANAMINE, N,N-DIMETHYL-GAMMA-(1-NAPHTHALENYLOXY)-, ETHANEDIOATE(1:1)rac-3-Thienyl-duloxetineN,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine;oxalic acidN,N-Dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-3-yl)propan-1-amine oxalate3-Thiophenepropanamine, N,N-dimethyl-gamma-(1-naphthalenyloxy)-, ethanedioate (1:1)DIMETHYL[3-(NAPHTHALEN-1-YLOXY)-3-(THIOPHEN-3-YL)PROPYL]AMINE; OXALIC ACIDSCHEMBL3562Duloxetine Impurity C12 OxalateDTXSID00600408Oxalic acid--N,N-dimethyl-3-[(naphthalen-1-yl)oxy]-3-(thiophen-3-yl)propan-1-amine (1/1)rac-3-Thienyl-duloxetine; 3-Thiophenepropanamine, N,N-dimethyl-?-(1-naphthalenyloxy)-, ethanedioate (1:1) (9CI, ACI); N,N-Dimethyl-?-(1-naphthalenyloxy)-3-thiophenepropanamine oxalate; N,N-Dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-3-yl)propan-1-amine oxalate; N-Methyl rac-Duloxe
名称をさらに表示
Duloxetine Impurity 3Duloxetine Impurity 12Duloxetine Impurity 21(oxalate)Duloxetine Impurity 11 oxalic acidDuloxetine Impurity 21(Oxalicacid)N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine(R)-N,N-Dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-3-yl)propan-1-amine Oxalate3-THIOPHENEPROPANAMINE, N,N-DIMETHYL-(1-NAPHTHALENYLOXY)-, ETHANEDIOATE(1:1)(9CL)
データベース識別子
- CAS
116817-26-6- PubChem CID
- 19830125
- DTXSID
DTXSID00600408
物性
構造計算による物性
- 極性表面積
- 115 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 7
- 回転可能結合数
- 7
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 407
化学と産業
応用分野
使用rac-3-Thienyl-duloxetine is an impurity of Duloxetine (D721000) which is an antidepressant, a dual serotonin and norepinephrine reuptake inhibitor (SNRI), and used in the treatment of stress urinary incontinence.
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