59798-30-0 (美洛西林钠,Mezlocillin sodium)

CAS号:
59798-30-0
中文名称:
美洛西林钠
英文名称:
Mezlocillin sodium
分子式:
C21H24N5NaO8S2
分子量:
561.563733100891

美洛西林钠(59798-30-0)名称与标识符

名称

中文别名:
美洛西林钠;3,3-二甲基-6-[(R)-2-[3-(甲磺酰)-2-氧代-1-咪唑烷甲酰氨基]-2-苯乙酰氨基]-7-氧代-4-硫杂-1-氮杂双环[3.2.0]-庚烷-2-甲酸钠;美洛西林钠 GMP;美诺西林钠;
英文别名:
Mezlocillin sodium;3,3-Dimethyl-6-[[2-[(3-methylsulfonyl-2-oxo-imidazolidin-1-yl)carbonylamino]-2-phenyl-acetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid sodium salt;(2S,5R,6R)-3,3-Dimethyl-6-((R)-2-(3-(3-(methylsulfonyl)-2-oxoimidazolidine-1-carbonyl)ureido)-2-phenylacetamido)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, sodium salt;Sodium (2S,5R,6R)-3,3-dimethyl-6-{[(2R)-2-({[3-(methylsulfonyl)-2-oxoimidazolidin-1-yl]carbonyl}amino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;Sodium 6beta-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3alpha-carboxylate;Sodium 6beta-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanate;Sodium (2S,5R,6R)-3,3-dimethyl-6-[(R)-2-[3-(methylsulfonyl)-2-oxo-1-imidazolidinecarboxamido]-2-phenylacetamido]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-(((((3-(methylsulfonyl)-2-oxo-1-imidazolidinyl)carbonyl)amino)phenylacetyl)amino)-7-oxo-, monosodium salt, (2S-(2alpha,5alpha,6beta(S*)))-;Mezlocillin sodium (USP);4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-(((2R)-(((3-(methylsulfonyl)-2-oxo-1-imidazolidinyl)carbonyl)amino)phenylacetyl)amino)-7-oxo-, monosodium salt, (2S,5R,6R)-;D05022;42057-22-7;Q27123145;Baypen;MEZLOCILLIN SODIUM [USP IMPURITY];MFCD07793332;Mezlocillin Sodium [USP:JAN];UNII-RX227TP94U;RX227TP94U;CHEMBL1697708;CHEBI:52067;MEZLOCILLIN SODIUM [VANDF];Antibiotic bay-f 1353;Mezlocillin (sodium);HY-B1466;AKOS025310095;59798-30-0;MEZLOCILLIN SODIUM SALT [MI];CS-5307;Mezlocillin Sodium ,(S);EINECS 255-640-5;4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-6-(((((3-(METHYLSULFONYL)-2-OXO-1-IMIDAZOLIDINYL)CARBONYL)AMINO)PHENYLACETYL)AMINO)-7-OXO-, MONOSODIUM SALT, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.(S*)))-;sodium (2S,5R,6R)-3,3-dimethyl-6-((R)-2-(3-(methylsulfonyl)-2-oxoimidazolidine-1-carboxamido)-2-phenylacetamido)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;MEZLOCILLIN SODIUM [WHO-DD];Mezlocillin sodium, Antibiotic for Culture Media Use Only;SCHEMBL41074;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[[[[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]phenylacetyl]amino]-7-oxo-, monosodium salt, [2S-[2alpha,5alpha,6beta(S*)]]-;W-110967;sodium;(2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-[(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;C21H24N5NaO8S2;Sodium mezlocillin;Monosodium mezlocillin;Mezlocillin sodium salt;AS-13977;Baycipen;Sodium (2S,5R,6R)-3,3-dimethyl-6-((R)-2-(3-(methylsulfonyl)-2-oxo-1-imidazolidinecarboxamido)-2-phenylacetamido)-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate;DTXCID00117389;MEZLOCILLIN SODIUM (USP IMPURITY);sodium 6beta-((2R)-2-(3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido)-2-phenylacetamido)-2,2-dimethylpenam-3alpha-carboxylate;DTXSID60194898;sodium (2S,5R,6R)-3,3-dimethyl-6-(((2R)-2-(((3-(methylsulfonyl)-2-oxoimidazolidin-1-yl)carbonyl)amino)-2-phenylacetyl)amino)-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate;59798-30-0, anhydride;DA-55447;sodium 6beta-((2R)-2-(3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido)-2-phenylacetamido)penicillanate;Mezlocillin Sodium (USP:JAN);Sodium, Mezlocillin;

标识符

MDL:
MFCD07793332
InChIKey:
GTGQRSIMEUWHPA-ZBJAFUORSA-M
Inchi:
1S/C21H25N5O8S2.Na/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34;/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30);/q;+1/p-1/t12-,13-,14+,17-;/m1./s1
SMILES:
S1C(C)(C)[C@H](C(=O)[O-])N2C([C@H]([C@@H]12)NC([C@@H](C1C=CC=CC=1)NC(N1C(N(CC1)S(C)(=O)=O)=O)=O)=O)=O.[Na+]

美洛西林钠(59798-30-0)物化性质

实验特性

  • LogP : 0.10780
  • PSA : 210.01000
  • 折射率 : 1.569
  • 水溶性 : Soluble in water or DMSO
  • 沸点 : 655.5°C at 760 mmHg
  • 闪点 : 350.2°C
  • 溶解性 : Soluble in water or DMSO
  • 密度 : 1.63

计算特性

  • 精确分子量 : 561.09600
  • 氢键供体数量 : 3
  • 氢键受体数量 : 15
  • 可旋转化学键数量 : 10
  • 同位素质量 : 539.114
  • 重原子数量 : 40
  • 复杂度 : 1080
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 4
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 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) : _0.2
  • 拓扑分子极性表面积 : 207A^2

美洛西林钠(59798-30-0)国际标准相关数据

EINECS:
257-233-8

美洛西林钠(59798-30-0)海关数据

海关编码:
2942000000
海关数据:

中国海关编码:

2942000000

美洛西林钠(59798-30-0)生产方法和用途

用途:
为抗菌药。