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Penicillin V-β-Sulfoxide-[d3]

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General Information
Catalog: BLP-003755
CAS: 148680-07-3
Molecular Formula: C16H15D3N2O6S
Molecular Weight: 369.41

Chemical Structure

Description	Penicillin V-β-Sulfoxide-[d3], is an isotope labelled derivative of Penicillin V-β-Sulfoxide, which is an intermediate of Penicillin V.
Synonyms	6-Phenoxyacetamidopenicillinic Acid-d3 1β-Oxide; Penicillin-d3 V S-Oxide; Penicillin V-β-Sulfoxide D3
IUPAC Name	(2S,3S,4S,5R,6R)-3-methyl-4,7-dioxo-6-[(2-phenoxyacetyl)amino]-3-(trideuteriomethyl)-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Related CAS	33069-21-5 (unlabelled)
Canonical SMILES	CC1(C(N2C(S1=O)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C
InChI	InChI=1S/C16H18N2O6S/c1-16(2)12(15(21)22)18-13(20)11(14(18)25(16)23)17-10(19)8-24-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-,25-/m1/s1/i1D3/t11-,12+,14-,16-,25-
InChI Key	DNPOVSLJNLLGMA-AERZYDOTSA-N
Boiling Point	780.2±60.0°C at 760 mmHg
Melting Point	>128°C(dec.)
Purity	>98%
Density	1.5±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	Light Brown Solid
Storage	Store at-20°C