689293-68-3 (Ceftolozane,5-amino-2-{(6R,7R)-7-(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(1-carboxy-1-methylethoxy)iminoacetamido-2-carboxylato-8-oxo-5-thia-1-azabicyclo4.2.0oct-2-en-3-ylmethyl}-4-{(2-aminoethyl)carbamoylamino}-1-methyl-1H-pyrazol-2-ium)

CAS号:
689293-68-3
中文名称:
Ceftolozane
英文名称:
5-amino-2-{(6R,7R)-7-(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(1-carboxy-1-methylethoxy)iminoacetamido-2-carboxylato-8-oxo-5-thia-1-azabicyclo4.2.0oct-2-en-3-ylmethyl}-4-{(2-aminoethyl)carbamoylamino}-1-methyl-1H-pyrazol-2-ium
分子式:
C23H30N12O8S2
分子量:
666.689899921417

Ceftolozane(689293-68-3)名称与标识符

名称

英文别名:
CEFTOLOZANE;37A4IES95Q;Ceftolozane [USAN:INN];ceftolozano;ceftolozanum;Ceftolozane (USAN);(6R,7R)-3-([3-Amino-4-(2-aminoethylcarbamoylamino)-2-methylpyrazol-1-ium-1-yl]methyl)-7-([(2Z)-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-carboxylate;DB09050;D10097;(6R,7R)-3-[(5-amino-4-{[(2-aminoethyl)carbamoyl]amino}-1-methyl-1H-pyrazol-2-ium-2-yl)methyl]-7-{[(;5-amino-2-{(6R,7R)-7-(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(1-carboxy-1-methylethoxy)iminoacetamido-2-carboxylato-8-oxo-5-thia-1-azabicyclo4.2.0oct-2-en-3-ylmethyl}-4-{(2-aminoethyl)carbamoylamino}-1-methyl-1H-pyrazol-2-ium;CXA-101;(6R,7R)-3-((5-Amino-4-(((2-aminoethyl)carbamoyl)amino)-1-methyl-1H-pyrazol-2-ium-2- yl)methyl)-7-(((2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-((1-carboxy-1- methylethoxy)imino)acetyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2- carboxylate;5-amino-2-{[(6R,7R)-7-[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(1-carboxy-1-methylethoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}-4-{[(2-aminoethyl)carbamoyl]amino}-1-methyl-1H-pyrazol-2-ium;(6R,7R)-3-((5-AMINO-4-(((2-AMINOETHYL)CARBAMOYL)AMINO)-1-METHYL-1H-PYRAZOL-2-IUM-2-YL)METHYL)-7-((2Z)-2-(5-AMINO-1,2,4-THIADIAZOL-3-YL)-2-(((2-CARBOXYPROPAN-2-YL)OXY)IMINO)ACETAMIDO)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLATE;UNII-37A4IES95Q;CEFTOLOZANE [VANDF];EN300-21831213;(6R,7R)-7-((Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(((2-carboxypropan-2-yl)oxy)imino)acetamido)-3-((3-amino-4-(3-(2-aminoethyl)ureido)-2-methyl-1H-pyrazol-2-ium-1-yl)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;Zerbaxa (ceftolozane + tazobactam);CS-0016741;(6R,7R)-3-((5-Amino-4-(((2-aminoethyl)carbamoyl)amino)-1-methyl-1H-pyrazol-2-ium-2-yl)methyl)-7-(((2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-((1-carboxy-1-methylethoxy)imino)acetyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-Carboxylate;CHEBI:134719;HY-19806;CEFTOLOZANE [INN];CEFTOLOZANE [WHO-DD];(6R,7R)-3-((5-amino-4-(((2-aminoethyl)carbamoyl)amino)-1-methyl-1H-pyrazol-2-ium-2-yl)methyl)-7-(((2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(((2-carboxypropan-2-yl)oxy)imino)acetyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate;689293-68-3;7-(((2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(((2-carboxypropan-2-yl)oxy)imino)acetyl)amino)-3-((5-amino-4-(((2-aminoethyl)carbamoyl)amino)-1-methyl-1H-pyrazol-2-ium-2-yl)methyl)-3,4-didehydrocepham-4-carboxylate;5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 3-((4-((((2-Aminoethyl)amino)carbonyl)amino)-2,3-dihydro-3-imino-2-methyl-1H-pyrazol-1-yl)methyl)-7-(((2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-((1-carboxy-1-methylethoxy)imino)acetyl)amino)-8-oxo-, (6R,7R)-;7-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-[ (5-amino-4-{[(2-aminoethyl)carbamoyl]amino}-1-methyl-1H-pyrazol-2-ium-2-yl)methyl]-3,4-didehydrocepham-4-carboxylate;(6R,7R)-3-[(5-amino-4-{[(2-aminoethyl)carbamoyl]amino}-1-methyl-1H-pyrazol-2-ium-2-yl)methyl]-7-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((4-((((2- aminoethyl)amino)carbonyl)amino)-2,3-dihydro-3-imino-2-methyl-1H-pyrazol-1- yl)methyl)-7-(((2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-((1-carboxy-1- methylethoxy)imino)acetyl)amino)-8-oxo-, (6R,7R)-;CEFTOLOZANE [MI];Ceftolozane [USAN];FR-264205;(6R,7R)-3-((3-Amino-4-(2-aminoethylcarbamoylamino)-2-methylpyrazol-1-ium-1-yl)methyl)-7-(((2Z)-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-carboxylate;CXA-101 FREE BASE;FR 264205;FR264205;7-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-[(5-amino-4-{[(2-aminoethyl)carbamoyl]amino}-1-methyl-1H-pyrazol-2-ium-2-yl)methyl]-3,4-didehydrocepham-4-carboxylate;CXA101;SCHEMBL14663407;(6R,7R)-3-[[3-amino-4-(2-aminoethylcarbamoylamino)-2-methylpyrazol-1-ium-1-yl]methyl]-7-[[(2Z)-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-carboxylate;

标识符

MDL:
MFCD30747942
InChIKey:
JHFNIHVVXRKLEF-DCZLAGFPSA-N
Inchi:
1S/C23H30N12O8S2/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/h7,12,18,25H,4-6,8,24H2,1-3H3,(H7,26,27,28,29,30,32,36,38,39,40,41,42)/b31-11-/t12-,18-/m1/s1
SMILES:
S1CC(C[N+]2=CC(=C(N)N2C)NC(NCCN)=O)=C(C(=O)[O-])N2C([C@H]([C@@H]12)NC(/C(/C1=NSC(N)=N1)=N\OC(C(=O)O)(C)C)=O)=O

Ceftolozane(689293-68-3)物化性质

计算特性

  • 精确分子量 : 666.17509831g/mol
  • 氢键供体数量 : 7
  • 氢键受体数量 : 16
  • 可旋转化学键数量 : 11
  • 同位素质量 : 666.17509831g/mol
  • 重原子数量 : 45
  • 复杂度 : 1280
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 1
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -3.2
  • 拓扑分子极性表面积 : 356

Ceftolozane(689293-68-3)推荐厂家 更多厂家(9)

Ceftolozane(689293-68-3)相关文献