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Cefditoren-[13C,d3]

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General Information
Catalog: BLP-011834
Molecular Formula: C18[13C]H15D3N6O5S3
Molecular Weight: 510.60

Chemical Structure

Description	Cefditoren-[13C,d3] is the labelled analogue of Cefditoren. Cefditoren is the third-generation cephalosporin antibiotic for oral use.
Synonyms	Cefditoren-13C,D3; (6R,7R)-7-[[(2Z)-(2-Amino-4-thiazolyl)methoxyimino)acetyl]amino]-3-[(1Z)-2-(4-methyl-5-thiazolyl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid-13C,d3; (6R-(3(Z),6alpha,7beta(Z)))-7-((2-Amino-4-thiazolyl)(methoxyimino)acetyl)amino-3-(2-(4-methyl-5-thiazolyl)ethenyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid-13C,d3
IUPAC Name	(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(trideuterio(1-13C)methoxyimino)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-carboxylic acid
Related CAS	104145-95-1 (unlabelled) 104146-53-4 (unlabelled sodium)
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
InChI	InChI=1S/C19H18N6O5S3/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)/b4-3-,24-12-/t13-,17-/m1/s1/i2+1D3
InChI Key	KMIPKYQIOVAHOP-XMZGYDMXSA-N
Purity	95% by HPLC; 98% atom 13C; 98% atom D