AG0010JS

132335-47-8 | 2-Thiophenepropanamine, N,N-dimethyl-γ-(1-naphthalenyloxy)-, ethanedioate (1:1), (γS)-

AG0010JS

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CAS Number	132335-47-8
Catalog Number	AG0010JS(AGN-PC-0PJP5E)
Chemical Name	2-Thiophenepropanamine, N,N-dimethyl-γ-(1-naphthalenyloxy)-, ethanedioate (1:1), (γS)-
EC Number	603-567-8
IUPAC Name	(3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;oxalic acid
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
InChI Key	GYUDMXKAVMKVPS-FERBBOLQSA-N
MDL Number	MFCD08458302
Molecular Formula	C21H23NO5S
Molecular Weight	401.4760
SMILES	CN(C)CC[C@H](OC1=C2C=CC=CC2=CC=C1)C3=CC=CS3.O=C(O)C(O)=O
Synonyms	132335-47-8, (S)-N,N-Dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine oxalate, N-Methyl Duloxetine Oxalate, S-(+)-N,N-Dimethyl-3-(1-naphthoxy)-3-(2-thienyl)-1-propylamine oxalate, S-(+)-N,N-Dimethyl-3-(1-Naphthalenyloxy)-3-(2-thienyl)-1-propanamine oxalate, GYUDMXKAVMKVPS-FERBBOLQSA-N, AK-94024, PubChem19904, Duloxetine N-methyl Impurity, SCHEMBL1535363, Jsp001956, CTK8B6230, KS-00000IRI, DTXSID20474380, ANW-53034, CD-156, MFCD08458302, AKOS015895978, O35D478, ACM132335478, DS-17898, Q533, AB0017646, AB1004571, AX8018033, ST2402876, TC-141779, FT-0652438, J-006164, (S)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine oxalate, S-(+)-N,N-Dimethyl-3-(1-naphthoxy)-3-(2-thienyl)-propylamine Oxalate, S-N,N-Dimethyl-3-(1-naphthoxy)-3-(2-thienyl)-1-propylamine oxalate, (|AS)-N,N-Dimethyl-|A-(1-naphthalenyloxy)-2-thiophenepropanamine Ethanedioate, (S)-(+)-N,N-DIMETHYL-3-(1-NAPHTHALENYLOXY)-3-(2-THINYL)PROPANAMINE OXALATE, (S)-N,N-Dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine Ethanedioate, (S)-N,N-Dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amineoxalate, (S)-(+)-N,N-Dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine oxalate; S-(+)-N,N-Dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)-1-propanamine oxalate; S-(+)-N,N-Dimethyl-3-(1-naphthoxy)-3-(2-thienyl)-1-propylamine oxalate; S-(+)-N,N-Dimethyl-3-(1-nap, 2-Thiophenepropanamine, N,N-dimethyl-gamma-(1-naphthalenyloxy)-, ethanedioate (1:1), (gammaS)-, Oxalic acid--(3S)-N,N-dimethyl-3-[(naphthalen-1-yl)oxy]-3-(thiophen-2-yl)propan-1-amine (1/1), C21H23NO5S, CB12026, CS-T-33713, CID11847533, EC 603-567-8, S- -N,N-Dimethyl-3- -3- -1-propylamineoxalate, (S)-(+)-N,N-dimethyl-3-(1-naphthyloxy)-3-(2-thienyl)-propanamine oxalate, S-(+)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine Oxalate, (3S)-N,N-dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine ethanedioate, 2-Thiophenepropanamine, N,N-dimethyl-gamma-(1-naphthalenyloxy)-, ethanedioate, IUPAC: (3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-yl-propan-1-amine; Oxalic Acid,

Complexity	407
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	401.13g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	401.477g/mol
Monoisotopic Mass	401.13g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	115A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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