3-Thiophenepropanamine, N,N-dimethyl-gamma-(1-naphthalenyloxy)-, ethanedioate(1:1)

Base Information

• Chemical Name: 3-Thiophenepropanamine, N,N-dimethyl-gamma-(1-naphthalenyloxy)-, ethanedioate(1:1)
• CAS No.: 116817-26-6
• Molecular Formula: C19H21NOS.C2H2O4
• Molecular Weight: 401.481
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00600408
• Mol file: 116817-26-6.mol

Synonyms:116817-26-6;3-THIOPHENEPROPANAMINE, N,N-DIMETHYL-GAMMA-(1-NAPHTHALENYLOXY)-, ETHANEDIOATE(1:1);rac-3-Thienyl-duloxetine;N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine;oxalic acid;N,N-Dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-3-yl)propan-1-amine oxalate;3-Thiophenepropanamine, N,N-dimethyl-gamma-(1-naphthalenyloxy)-, ethanedioate (1:1);DIMETHYL[3-(NAPHTHALEN-1-YLOXY)-3-(THIOPHEN-3-YL)PROPYL]AMINE;OXALIC ACID;SCHEMBL3562;DTXSID00600408;Oxalic acid--N,N-dimethyl-3-[(naphthalen-1-yl)oxy]-3-(thiophen-3-yl)propan-1-amine (1/1);3-Thiophenepropanamine, N,N-dimethyl-?-(1-naphthalenyloxy)-, ethanedioate (1:1) (9CI, ACI);N,N-Dimethyl-?-(1-naphthalenyloxy)-3-thiophenepropanamine oxalate;N-Methyl rac-Duloxe

Chemical Property of 3-Thiophenepropanamine, N,N-dimethyl-gamma-(1-naphthalenyloxy)-, ethanedioate(1:1)

Chemical Property:

• PSA: 115.31000
• LogP: 4.12870
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 401.12969401
• Heavy Atom Count: 28
• Complexity: 407

Purity/Quality:

98%min ^*data from raw suppliers

rac-3-Thienyl-duloxetine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCC(C1=CSC=C1)OC2=CC=CC3=CC=CC=C32.C(=O)(C(=O)O)O
• Uses: 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.