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Ceftriaxone-[d3]

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General Information
Catalog: BLP-013734
CAS: 1132650-38-4
Molecular Formula: C18H15D3N8O7S3
Molecular Weight: 557.60

Chemical Structure

Description	Ceftriaxone-[d3] is the labelled analogue of Ceftriaxone, which is a third-generation cephalosporin.
Synonyms	Ceftriaxone-d3; (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; Biotrakson-d3; Rocefin-d3; Rocephalin-d3; Rophex-d3
IUPAC Name	(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(trideuteriomethoxyimino)acetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Related CAS	104376-79-6 (unlabelled disodium salt) 73384-59-5 (unlabelled)
Canonical SMILES	CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O
InChI	InChI=1S/C18H18N8O7S3/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)/b24-8-/t9-,15-/m1/s1/i2D3
InChI Key	VAAUVRVFOQPIGI-SBUQEZGDSA-N
Purity	≥96%; ≥99% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	Off-white to Pale Yellow Solid
Storage	Store at -20°C