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4-[(1-Oxopropyl)(phenyl-[13C6]-amino)-1-benzyl-4-piperidinecarboxylic Acid Methyl Ester

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General Information
Catalog: BLP-007738
CAS: 1189424-95-0
Molecular Formula: C17[13C]6H28N2O3
Molecular Weight: 386.44

Chemical Structure

Description	An isotopic labelled Remifentanil derivative.
Synonyms	Methyl 4[N-(1-Oxopropyl)-N-(phenyl-13C6)amino]-1-benzyl-4-piperidinecarboxylate
IUPAC Name	methyl 1-benzyl-4-[(1,2,3,4,5,6-13C6)cyclohexatrienyl(propanoyl)amino]piperidine-4-carboxylate
Canonical SMILES	CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CC3=CC=CC=C3)C(=O)OC
InChI	InChI=1S/C23H28N2O3/c1-3-21(26)25(20-12-8-5-9-13-20)23(22(27)28-2)14-16-24(17-15-23)18-19-10-6-4-7-11-19/h4-13H,3,14-18H2,1-2H3/i5+1,8+1,9+1,12+1,13+1,20+1
InChI Key	QKRGHVDSVANHAD-XUTDRSDQSA-N
Solubility	Soluble in Chloroform, Dichloromethane, Dimethyl Sulfoxide, Ethyl Acetate, Methanol
Appearance	Brown Oil