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Also known as: 132335-47-8, N-methyl duloxetine oxalate, S-(+)-n,n-dimethyl-3-(1-naphthoxy)-3-(2-thienyl)-1-propylamine oxalate, (3s)-n,n-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;oxalic acid, S-(+)-n,n-dimethyl-3-(1-naphthoxy)-3-(2-thienyl)-propylamine oxalate, (s)-n,n-dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amineoxalate
Molecular Formula
C21H23NO5S
Molecular Weight
401.5  g/mol
InChI Key
GYUDMXKAVMKVPS-FERBBOLQSA-N

CAS 132335-47-8
1 2D Structure

CAS 132335-47-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;oxalic acid
2.1.2 InChI
InChI=1S/C19H21NOS.C2H2O4/c1-20(2)13-12-18(19-11-6-14-22-19)21-17-10-5-8-15-7-3-4-9-16(15)17;3-1(4)2(5)6/h3-11,14,18H,12-13H2,1-2H3;(H,3,4)(H,5,6)/t18-;/m0./s1
2.1.3 InChI Key
GYUDMXKAVMKVPS-FERBBOLQSA-N
2.1.4 Canonical SMILES
CN(C)CCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32.C(=O)(C(=O)O)O
2.1.5 Isomeric SMILES
CN(C)CC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32.C(=O)(C(=O)O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 132335-47-8

2. N-methyl Duloxetine Oxalate

3. S-(+)-n,n-dimethyl-3-(1-naphthoxy)-3-(2-thienyl)-1-propylamine Oxalate

4. (3s)-n,n-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;oxalic Acid

5. S-(+)-n,n-dimethyl-3-(1-naphthoxy)-3-(2-thienyl)-propylamine Oxalate

6. (s)-n,n-dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amineoxalate

7. (3s)-n,n-dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine Oxalate (n-methylduloxetine Oxalate)

8. 116817-12-0

9. Schembl1535363

10. Dtxsid20474380

11. Mfcd08458302

12. Akos015895978

13. O35d478

14. (3s)-n,n-dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine Ethanedioate

15. Ac-31110

16. Ds-17898

17. Cs-0151301

18. J-006164

19. (s)-n,n-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine Oxalate

20. (s)-n,n-dimethyl-3-(1-naphthyloxy)-3-(2-thienyl)propanamine Oxalate

21. (3s)-n,n-dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine Oxalate

22. (s)-(+)-n,n-dimethyl-3-(1-naphthalenyloxy)-3-(2-thinyl)propanamine Oxalate

23. 2-thiophenepropanamine, N,n-dimethyl-gamma-(1-naphthalenyloxy)-, Ethanedioate (1:1), (gammas)-

24. Oxalic Acid--(3s)-n,n-dimethyl-3-[(naphthalen-1-yl)oxy]-3-(thiophen-2-yl)propan-1-amine (1/1)

2.3 Create Date
2006-11-06
3 Chemical and Physical Properties
Molecular Weight 401.5 g/mol
Molecular Formula C21H23NO5S
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass401.12969401 g/mol
Monoisotopic Mass401.12969401 g/mol
Topological Polar Surface Area115 Ų
Heavy Atom Count28
Formal Charge0
Complexity407
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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01

2024 ACI Convention
Not Confirmed
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2024 ACI Convention
Not Confirmed

S-(+)-N,N-Dimethyl-3-(1-naphthoxy)-3-(2-thienyl)-1...

CAS Number : 132335-47-8

End Use API :

About the Company : Founded in 1986, Kekule has developed from a manufacturer of few molecules to a preferred vendor for many complex molecules requiring multistage synthesis. Working with customers across...

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