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Ceftriaxone-[d3] disodium salt

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General Information
Catalog: BLP-013733
Molecular Formula: C18H13D3N8Na2O7S3
Molecular Weight: 601.56

Chemical Structure

Description	Ceftriaxone-[d3] disodium salt is the labelled analogue of Ceftriaxone disodium salt, which is a third-generation cephalosporin.
Synonyms	Ceftriaxone-d3 disodium salt; (6R,7R)-7-[[(2Z)-2-(2-Amino-4-thiazolyl)-2-[(methoxy-d3)imino]acetyl]amino]-8-oxo-3-[[(1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid Disodium Salt; Rocefin-d3 Disodium Salt; Rocephalin-d3 Disodium Salt; Rophex-d3 Disodium Salt
IUPAC Name	disodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(trideuteriomethoxyimino)acetyl]amino]-3-[(2-methyl-6-oxido-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Related CAS	104376-79-6 (unlabelled) 73384-59-5 (unlabelled free acid) 1132650-38-4 (free acid)
Canonical SMILES	CN1C(=NC(=O)C(=N1)[O-])SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-].[Na+].[Na+]
InChI	InChI=1S/C18H18N8O7S3.2Na/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7;;/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32);;/q;2*+1/p-2/b24-8-;;/t9-,15-;;/m1../s1/i2D3;;
InChI Key	FDRNWTJTHBSPMW-YMJZAEKUSA-L
Melting Point	>176°C (dec.)
Purity	≥95%; ≥99% atom D
Solubility	Soluble in Methanol (Very Slightly, Heated, Sonicated), Water (Slightly)
Appearance	White to Pale Beige Solid
Storage	Store at -20°C under inert atmosphere