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N-Piperacillinyl Ampicillin-[d5]

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General Information
Catalog: BLP-003591
Molecular Formula: C39H39D5N8O10S2
Molecular Weight: 853.98

Chemical Structure

Description	N-Piperacillinyl Ampicillin-[d5], is the labelled analogue of N-Piperacillinyl Ampicillin, which is an impurity of Piperacillin. Piperacillin is a broad-spectrum β-lactam antibiotic.
Synonyms	N-Piperacillinyl Ampicillin D5
IUPAC Name	deuterio 2,5,6-trideuterio-3-(deuteriomethyl)-6-[[2-[[6-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]amino]-2-phenylacetyl]amino]-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Related CAS	65772-67-0 (unlabelled)
Canonical SMILES	CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)NC(C5=CC=CC=C5)C(=O)NC6C7N(C6=O)C(C(S7)(C)C)C(=O)O
InChI	InChI=1S/C39H44N8O10S2/c1-6-44-17-18-45(33(54)32(44)53)37(57)43-22(20-15-11-8-12-16-20)28(49)42-23-30(51)46-25(38(2,3)58-34(23)46)29(50)40-21(19-13-9-7-10-14-19)27(48)41-24-31(52)47-26(36(55)56)39(4,5)59-35(24)47/h7-16,21-26,34-35H,6,17-18H2,1-5H3,(H,40,50)(H,41,48)(H,42,49)(H,43,57)(H,55,56)/i4D,24D,26D,35D/hD
InChI Key	DPEZDVKIJPAEMF-MJVIONCGSA-N
Purity	>98%