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Nafcillin-[d5] sodium salt

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General Information
Catalog: BLP-011660
CAS: 1356354-25-0
Molecular Formula: C21H16D5N2NaO5S
Molecular Weight: 441.49

Chemical Structure

Description	Nafcillin-[d5] sodium salt is the labelled salt of Nafcillin. Nafcillin, a semi-synthetic β-lactamase-resistant penicillin analogue, has been found to be an antibiotic that could be effective especially against Gram-positive bacteria.
Synonyms	Nafcillin-D5 sodium salt; (2S,5R,6R)-6-[[(2-(Ethoxy-d5)-1-naphthalenyl)carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid Sodium Salt; Naftopen-d5; Naphthicillin-d5; Nafcil-d5; Sodium 6-(2-(ethoxy-d5)-1-naphthamido)penicillanate; 6-(2-(Ethoxy-d5)-1-naphthamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid Sodium Salt; 6-(2-(Ethoxy-d5)-1-naphthamido)penicillin Sodium Salt; Sodium Nafcillin-d5
IUPAC Name	sodium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-(1,1,2,2,2-pentadeuterioethoxy)naphthalene-1-carbonyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Related CAS	985-16-0 (unlabelled) 147-52-4 (unlabelled free acid)
Canonical SMILES	CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].[Na+]
InChI	InChI=1S/C21H22N2O5S.Na/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);/q;+1/p-1/t15-,16+,19-;/m1./s1/i1D3,4D2;
InChI Key	AYAPZOUDXCDGIF-LYVUTDJTSA-M
Melting Point	157-160°C (dec.)
Purity	≥97% by HPLC; ≥99% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly, Sonicated), Water (Slightly)
Appearance	White to Pale Yellow Solid
Storage	Store at -20°C under inert atmosphere