Ceftiolene

(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

Also Known As: Ceftiolene|Cefatiolene|Ceftiolenum|ceftioleno|Cefathiolene|Ceftiolene [INN]|Ceftiolenum [Latin]|42980RP|RP 42980|RP 42,980|J2.399.601D|(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|(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|(6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-3-((E)-2-((4-(formylmethyl)-1,4,5,6-tetrahydro-5,6-dioxo-as-triazin-3-yl)thio)vinyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid 7(sup 2)-(Z)-(O-methyloxime)|(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[(1E)-2-{[5,6-dioxo-4-(2-oxoethyl)-1,4,5,6-tetrahydro-1,2,4-triazin-3-yl]sulfanyl}ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-7-[[(2Z)-(2-Amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-3-[(1E)-2-[[1,4,5,6-tetrahydro-5,6-dioxo-4-(2-oxoethyl)-1,2,4-triazin-3-yl]thio]ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid|(6R,7R)-7-[[(2Z)-(2-Amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-3-[(1E)-2-[[1,4,5,6-tetrahydro-5,6-dioxo-4-(2-oxoethyl)-1,2,4-triazine-3-yl]thio]ethenyl]-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid|(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(E)-2-{[5,6-dioxo-4-(2-oxoethyl)-1,4,5,6-tetrahydro-1,2,4-triazin-3-yl]sulfanyl}ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|[6R-[3(E),6|A,7|A(Z)]]-7-[[(2-Amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-3-[2-[[1,4,5,6-tetrahydro-5,6-dioxo-4-(2-oxoethyl)-1,2,4-triazin-3-yl]thio]ethenyl]-5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid|3-[(E)-2-{[5,6-dioxo-4-(2-oxoethyl)-1,4,5,6-tetrahydro-1,2,4-triazin-3-yl]sulfanyl}ethenyl]-7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3,4-didehydrocepham-4-carboxyic acid

Molecular Formula	C20H18N8O8S3
Molecular Weight	594.04095 g/mol
LogP	-1.4357
Topological Polar Surface Area	232.03 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	14
Rotatable Bonds	10
Exact Mass	594.04095
Monoisotopic Mass	594.04095
Heavy Atoms	39
Complexity	1558.1704

Chemical Identifiers

CAS Number	77360-52-2
SMILES	CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)/C=C/SC4=NNC(=O)C(=O)N4CC=O)C(=O)O