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Cefditoren-[d3] Sodium

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General Information
Catalog: BLP-002182
Molecular Formula: C19H14D3N6NaO5S3
Molecular Weight: 531.58

Chemical Structure

Description	Cefditoren-[d3] Sodium, is the labelled analogue of Cefditoren. Cefditoren is a third-generation cephalosporin antibiotic for oral use.
Synonyms	Cefditoren D3 Sodium
IUPAC Name	sodium;(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(trideuteriomethoxyimino)acetyl]amino]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Related CAS	104146-53-4 (unlabelled)
Canonical SMILES	CC1=C(SC=N1)C=CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-].[Na+]
InChI	InChI=1S/C19H18N6O5S3.Na/c1-8-11(33-7-21-8)4-3-9-5-31-17-13(16(27)25(17)14(9)18(28)29)23-15(26)12(24-30-2)10-6-32-19(20)22-10;/h3-4,6-7,13,17H,5H2,1-2H3,(H2,20,22)(H,23,26)(H,28,29);/q;+1/p-1/b4-3-,24-12+;/t13-,17-;/m1./s1/i2D3;
InChI Key	VFUMWBZIKOREOO-WGQFWKFWSA-M
Melting Point	195-200°C
Solubility	Soluble in Methanol
Appearance	Pale Yellow Crystalline Solid