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Tapentadol O-sulfate-[d5]

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General Information
Catalog: BLP-013819
CAS: 1346598-84-2
Molecular Formula: C14H18D5NO4S
Molecular Weight: 306.43

Chemical Structure

Description	Tapentadol O-sulfate-[d5] is the labelled analogue of Tapentadol O-sulfate, which is a secondary urinary metabolite of tapentadol.
Synonyms	Tapentadol O-sulfate-d5; 3-[(2R,3R)-1-(Dimethylamino)-2-methylpentan-3-yl]phenyl hydrogen sulfate-d5
IUPAC Name	[3-[(3R,4R)-1,1,1,2,2-pentadeuterio-5-(dimethylamino)-4-methylpentan-3-yl]phenyl] hydrogen sulfate
Related CAS	1300037-87-9 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])[C@@H](C1=CC(=CC=C1)OS(=O)(=O)O)[C@@H](C)CN(C)C
Canonical SMILES	CCC(C1=CC(=CC=C1)OS(=O)(=O)O)C(C)CN(C)C
InChI	InChI=1S/C14H23NO4S/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(9-12)19-20(16,17)18/h6-9,11,14H,5,10H2,1-4H3,(H,16,17,18)/t11-,14+/m0/s1/i1D3,5D2
InChI Key	HPEFZESOUVTBSA-ODWVCUCBSA-N
Solubility	Soluble in Methanol
Storage	Store at -20°C