头孢他洛林(400827-55-6)名称与标识符
名称
中文别名:
头孢他洛林;4-[2-[[(6R,7R)-2-羧基-7-[[(2Z)-(乙氧基亚氨基)[5-(膦酰氨基)-1,2,4-噻二唑-3-基]乙酰基]氨基]-8-氧代-5-硫杂-1-氮杂双环[4.2.0]辛-2-烯-3-基]硫基]-4-噻唑基]-1-甲基吡啶乙酸盐水合物;头孢罗膦;头孢罗膦系列;头孢罗膦乙酸盐水合物;
英文别名:
CEFTAROLINE;(6R,7R)-7-[[(2Z)-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbo;4-[2-[[(6R,7R)-2-Carboxy-7-[[(2Z)-(ethoxyimino)[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methylpyridinium acetate hydra;Ceftaroline fosamil (hydrate)(acetate);SCHEMBL1690569;4-[2-[[(6R,7R)-2-Carboxy-7-[[(2Z)-(ethoxyimino)[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methylpyridinium acetate hydrate;TAK 599 monoacetate monohydrate;Pyridinium, 4-(2-(((6R,7R)-2-carboxy-7-(((2Z)-(ethoxyimino)(5- (phosphonoamino)-1,2,4-thiadiazol-3-yl)acetyl)amino)-8-oxo-5-thia-1- azabicyclo(4.2.0)oct-2-en-3-yl)thio)-4-thiazolyl)-1-methyl-, inner salt, monoacetate, monohydrate;Ceftaroline fosamil acetate hydrate;P9VXV1408Y;CeftarolineFosamilhydrate;(6R,7R)-7-[[(2Z)-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;acetate;hydrate;4-(2-{[(6R,7R)-2-carboxy-7-[(2Z)-2-(ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]sulfanyl}-1,3-thiazol-4-yl)-1-methylpyridin-1-ium acetate hydrate;Ceftaroline Fosamil Acetate [USAN];Ceftaroline Fosamil hydrate;400827-55-6;PPI-0903 monoacetate monohydrate;HY-14737A;(6R,7R)-7-(((2Z)-(Ethoxyimino)(5-(phosphonoamino)-1,2,4-thiadiazol-3-yl)acetyl)amino)-3-((4-(1-methylpyridinium-4-yl)thiazol-2-yl)sulfanyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carboxylate monoacetate monohydrate;
标识符
InChIKey:
KRWPPVCZNGQQHZ-IINIBMQSSA-N
Inchi:
1S/C22H21N8O8PS4.C2H4O2.H2O/c1-3-38-26-13(16-25-21(43-28-16)27-39(35,36)37)17(31)24-14-18(32)30-15(20(33)34)12(9-40-19(14)30)42-22-23-11(8-41-22)10-4-6-29(2)7-5-10;1-2(3)4;/h4-8,14,19H,3,9H2,1-2H3,(H4-,24,25,27,28,31,33,34,35,36,37);1H3,(H,3,4);1H2/b26-13-;;/t14-,19-;;/m1../s1
SMILES:
S1CC(=C(C(=O)O)N2C([C@H]([C@@H]12)NC(/C(/C1=NSC(NP(=O)(O)O)=N1)=N\OCC)=O)=O)SC1=NC(C2C=C[N+](C)=CC=2)=CS1.[O-]C(C)=O.O