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Oxacillin-[d5] sodium salt monohydrate

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General Information
Catalog: BLP-003697
Molecular Formula: C19H15D5N3NaO6S
Molecular Weight: 446.46

Chemical Structure

Description	Oxacillin-[d5] sodium salt monohydrate, is the labelled analogue of Oxacillin. Oxacillin is a narrow-spectrum beta-lactam antibiotic of the penicillin class.
Synonyms	Oxacillin D5 sodium salt monohydrate
IUPAC Name	sodium;(2S,5R,6R)-3,3-dimethyl-6-[[5-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)-1,2-oxazole-4-carbonyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrate
Related CAS	7240-38-2 (unlabelled)
Canonical SMILES	CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].O.[Na+]
InChI	InChI=1S/C19H19N3O5S.Na.H2O/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22;;/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1/i4D,5D,6D,7D,8D;;
InChI Key	ZVIYWUUZWWBNMB-MFWZKDTKSA-M
Solubility	Soluble in Water
Appearance	White to Off-white Solid
Storage	Store at-20°C