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Ceftolozane-[15N2,d4] trifluoroacetate salt

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General Information
Catalog: BLP-002198
Molecular Formula: C25H27D4F3N10[15N]2O10S2
Molecular Weight: 786.72

Chemical Structure

Description	Ceftolozane-[15N2,d4] trifluoroacetate salt, is the labelled analogue of Ceftolozane. Ceftolozane is a combination antibiotic used for the treatment of complicated urinary tract infections and complicated intra-abdominal infections in adults.
Synonyms	Ceftolozane-15N2-D4 trifluoroacetate salt
IUPAC Name	(6R,7R)-3-[[3-amino-4-[(2-(15N)azanyl-1,1,2,2-tetradeuterioethyl)carbamoylamino]-2-methylpyrazol-1-ium-1-yl]methyl]-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;2,2,2-trifluoroacetate
Related CAS	689293-68-3 (unlabelled free base)
Canonical SMILES	CC(C)(C(=O)O)ON=C(C1=NSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC(=C(N4C)N)NC(=O)NCCN)C(=O)O.C(=O)(C(F)(F)F)[O-]
InChI	InChI=1S/C23H30N12O8S2.C2HF3O2/c1-23(2,20(40)41)43-31-11(15-30-21(26)45-32-15)16(36)29-12-17(37)35-13(19(38)39)9(8-44-18(12)35)6-34-7-10(14(25)33(34)3)28-22(42)27-5-4-24;3-2(4,5)1(6)7/h7,12,18,25H,4-6,8,24H2,1-3H3,(H7,26,27,28,29,30,32,36,38,39,40,41,42);(H,6,7)/b31-11+;/t12-,18-;/m1./s1/i4D2,5D2,24+1,27+1;
InChI Key	PBZOVQQMQQYFDQ-WREQPXTCSA-N
Purity	> 98%