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Thiorphan Methoxyacetophenone-[13C,d3]

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General Information
Catalog: BLP-007425
CAS: 1329837-24-2
Molecular Formula: C20[13C]H20D3NO5S
Molecular Weight: 405.49

Chemical Structure

Description	Thiorphan Methoxyacetophenone-[13C,d3] is a labelled metabolite of Thiorphan.
Synonyms	N-[2-[[[2-(3-Methoxyphenyl)-2-oxoethyl]thio]methyl]-1-oxo-3-phenylpropyl]glycine-13C,d3
IUPAC Name	2-[[2-benzyl-3-[2-oxo-2-[3-(trideuterio(1-13C)methoxy)phenyl]ethyl]sulfanylpropanoyl]amino]acetic acid
Related CAS	1329611-20-2 (unlabelled)
Isomeric SMILES	[2H][13C]([2H])([2H])OC1=CC=CC(=C1)C(=O)CSCC(CC2=CC=CC=C2)C(=O)NCC(=O)O
Canonical SMILES	COC1=CC=CC(=C1)C(=O)CSCC(CC2=CC=CC=C2)C(=O)NCC(=O)O
InChI	InChI=1S/C21H23NO5S/c1-27-18-9-5-8-16(11-18)19(23)14-28-13-17(21(26)22-12-20(24)25)10-15-6-3-2-4-7-15/h2-9,11,17H,10,12-14H2,1H3,(H,22,26)(H,24,25)/i1+1D3
InChI Key	LYFBMQMMAFLEHC-KQORAOOSSA-N
Purity	>98%