Ceftiolene

Ceftiolene
Clinical data
ATC code	none;
Identifiers
	IUPAC name (6R,7R)-7-([(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino)-3-[(E)-2-([5,6-dioxo-4-(2-oxoethyl)-1H-1,2,4-triazin-3-yl]sulfanyl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;
CAS Number	77360-52-2;
PubChem CID	6537430;
ChemSpider	5020599;
UNII	28TV2P33KF;
ChEBI	CHEBI:140116;
ChEMBL	ChEMBL2106102;
CompTox Dashboard (EPA)	DTXSID101024597 ;
Chemical and physical data
Formula	C20H18N8O8S3
Molar mass	594.59 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C=CSC4=NNC(=O)C(=O)N4CC=O)C(=O)O;
	InChI InChI=1S/C20H18N8O8S3/c1-36-26-10(9-7-39-19(21)22-9)13(30)23-11-15(32)28-12(18(34)35)8(6-38-17(11)28)2-5-37-20-25-24-14(31)16(33)27(20)3-4-29/h2,4-5,7,11,17H,3,6H2,1H3,(H2,21,22)(H,23,30)(H,24,31)(H,34,35)/b5-2+,26-10-/t11-,17-/m1/s1; Key:WJXAHFZIHLTPFR-JLRJEBFFSA-N;
	(verify)

Ceftiolene (INN) is a third-generation cephalosporin antibiotic.^[1]

References

^ Williamson R, Gutmann L, Kitzis MD, Acar JF (December 1984). "An evaluation of the bacteriolytic and biochemical properties of ceftiolene (42980RP)". The Journal of Antimicrobial Chemotherapy. 14 (6): 581–93. doi:10.1093/jac/14.6.581. PMID 6394571.

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Clinical data

ATC code	none
Identifiers
IUPAC name (6R,7R)-7-([(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino)-3-[(E)-2-([5,6-dioxo-4-(2-oxoethyl)-1H-1,2,4-triazin-3-yl]sulfanyl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Number	77360-52-2
PubChem CID	6537430
ChemSpider	5020599
UNII	28TV2P33KF
ChEBI	CHEBI:140116
ChEMBL	ChEMBL2106102
CompTox Dashboard (EPA)	DTXSID101024597
Chemical and physical data
Formula	C₂₀H₁₈N₈O₈S₃
Molar mass	594.59 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C=CSC4=NNC(=O)C(=O)N4CC=O)C(=O)O
InChI InChI=1S/C20H18N8O8S3/c1-36-26-10(9-7-39-19(21)22-9)13(30)23-11-15(32)28-12(18(34)35)8(6-38-17(11)28)2-5-37-20-25-24-14(31)16(33)27(20)3-4-29/h2,4-5,7,11,17H,3,6H2,1H3,(H2,21,22)(H,23,30)(H,24,31)(H,34,35)/b5-2+,26-10-/t11-,17-/m1/s1 Key:WJXAHFZIHLTPFR-JLRJEBFFSA-N
(verify)