89785-84-2 (他唑巴坦钠,Tazobactam Sodium Salt)

CAS号:
89785-84-2
中文名称:
他唑巴坦钠
英文名称:
Tazobactam Sodium Salt
分子式:
C10H12N4NaO5S
分子量:
323.280851364136
简介:
他唑巴坦钠 英文名称:Tazobactam sodium ,中文别名:[2S-(2a,3b,5a)]-3-甲基-7-氧代-3-(1H-1,2,3-三氮唑-1-基甲基)-4-硫代-1-氮杂双环[3,2,0]庚烷-2-羧酸钠 4,4-二氧化物;三唑巴坦钠。

他唑巴坦钠(89785-84-2)名称与标识符

名称

中文别名:
他唑巴坦钠;冻干无菌粉;泰唑巴坦钠;[2S-(2a,3b,5a)]-3-甲基-7-氧代-3-(1H-1,2,3-三氮唑-1-基甲基)-4-硫代-1-氮杂双环[3,2,0]庚烷-2-羧酸钠 4,4-二氧化物;三唑巴坦钠;他唑巴坦酸钠盐;他唑巴坦钠 (标准品);他唑巴坦钠 GMP;[2S-(2α,3β,5α)]-3-甲基-7-氧;4-羟基芬司匹利;他唑巴坦钠,AR;他唑巴坦钠标准品;
英文别名:
[2s-(2a,3b,5a)]-3-methyl-7-oxo-3(1h,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide sodium salt;[2S-(2ALPHA, 3BETA, 5ALPHA)]-3-METHYL-7-OXO-3(1H,2,3-TRIAZOL-1-YLMETHYL)-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID 4,4-DIOXIDE SODIUM SALT;CL-298741 SODIUM SALT;TAZOBACTAM SODIUM;TAZOBACTAM SODIUM SALT;YTR-830H SODIUM SALT;2-alpha-methyl-2-beta-(1,2,3-triazol-1-ylmethyl)penam-3-alpha-carboxylicacid;3-methyl-7-oxo-3-(1h-1,2,3-triazol-1-ylmethyl)-,4,4-dioxide,sodiumsalt,(2s-(2-alpha,3-beta,5-alp4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylicaci;4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylicacid,3-methyl-7-oxo-3-(1h-1,2,3;cl307579;-triazol-1-ylmethyl)-,4,4-dioxide,sodiumsalt,(2s-(2-alpha,3-beta,5-alpha));ytr830;(2S,3S,5R)-3-Methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid 4,4-dioxide Sodium Salt;CL-30757;[2s-(2α,3β,5α)]-3-methyl-7-oxo-3(1h,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide;Piperacillin sodium salt;PHARMA-0692;Tazobactam Sodium Sa;SODIUM;TAZOBACTAMACID;1H-1,2,3-Triazole, 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid deriv. (ZCI);4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide, sodium salt, (2S,3S,5R)- (9CI);4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide, sodium salt, [2S-(2α,3β,5α)]- (ZCI);CL 307579;YTR 830;AS-56873;Q27158392;SCHEMBL259991;T-1446;sodium (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[(1H-1,2,3-triazol-1-yl)methyl]-4lambda(6)-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;TAZOBACTAM SODIUM SALT [MI];TAZOBACTAM SODIUM [WHO-DD];YP-14;AC-32478;Tox21_111584_1;Sodium; (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[1,2,3]triazol-1-ylmethyl-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate;DTXCID6026030;Sodium (2S,3S,5R)-3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, 4,4-dioxide;Tox21_111584;sodium (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[1,2,3]triazol-1-ylmethyl-4lambda6-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate;Sodium(2S,3S,5R)-3-((1H-1,2,3-triazol-1-yl)methyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate4,4-dioxide;RFMIKMMOLPNEDG-QVUDESDKSA-M;AKOS016843926;CL-307579;Sodium (2S,3S,5R)-3-((1H-1,2,3-triazol-1-yl)methyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide;D03707;89785-84-2 (sodium);CS-W009884;Tazobactam sodium salt, Antibiotic for Culture Media Use Only;sodium;(2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;Tazobactam sodium (JAN/USAN);ZERBAXA COMPONENT TAZOBACTAM SODIUM;4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide, sodium salt, (2S,3S,5R)-;CL 307,579;YTR-830;tazobactum;2-alpha-Methyl-2-beta-(1,2,3-triazol-1-ylmethyl)penam-3-alpha-carboxylic acid sodium salt;Tazobactam (as sodium);AKOS015962921;UNII-UXA545ABTT;AC-18978;TAZOBACTAM SODIUM [JAN];NCGC00159340-05;Tazobactam acid Sodium, Tazobactamum Sodium;UXA545ABTT;ZOSYN COMPONENT TAZOBACTAM SODIUM;4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide, sodium salt, (2S-(2alpha,3beta,5alpha))-;Tazobactam sodium [USAN];Tazobactam sodium salt, analytical standard;CHEBI:85192;Tazobactum sodium;DTXSID8046030;89785-84-2;Sodium (2S,3S,5R)-3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate, 4,4-dioxide;HY-W009168;Tazobactam sodium salt, beta-lactamase inhibitor;TAZOBACTAM SODIUM [VANDF];CAS-89785-84-2;TAZOBACTAM SODIUM [ORANGE BOOK];Tazobactam (sodium);NCGC00159340-02;G12877;TAZOBACTAM SODIUM [MART.];BDBM50157692;CL-298741;CHEMBL1439;

标识符

MDL:
MFCD00917472
InChIKey:
ZUNWFYFXHGWFRA-QVUDESDKSA-N
Inchi:
1S/C10H12N4O5S.Na/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19;/h2-3,7-8H,4-5H2,1H3,(H,16,17);/t7-,8+,10+;/m1./s1
SMILES:
C(N1N=NC=C1)[C@@]1(S(=O)(=O)[C@@H]2CC(N2[C@H]1C(=O)O)=O)C.[Na]

他唑巴坦钠(89785-84-2)物化性质

实验特性

  • LogP : -1.83920
  • PSA : 133.67000
  • 折射率 : 1.82
  • 水溶性 : Soluble in water.Soluble in water and methanol.
  • 沸点 : 707.1°C at 760 mmHg
  • 熔点 : 140-147°C
  • 蒸气压 : Not available
  • 闪点 : >110°(230°F)
  • 溶解度 : H2O: 50 mg/mL, clear, colorless
  • 密度 : Not available

计算特性

  • 精确分子量 : 322.03500
  • 氢键供体数量 : 0
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 3
  • 同位素质量 : 322.035
  • 重原子数量 : 21
  • 复杂度 : 579
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 3
  • 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 : 2
  • 拓扑分子极性表面积 : 134A^2

他唑巴坦钠(89785-84-2)国际标准相关数据

EINECS:

他唑巴坦钠(89785-84-2)海关数据

海关编码:
2934999090
海关数据:

中国海关编码:

2934999090

概述:

2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途

Summary:

2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

他唑巴坦钠(89785-84-2)生产方法和用途

用途:
不可逆竞争性β-内酰胺酶抑制剂。

他唑巴坦钠(89785-84-2)合成路线

合成路线:1 步
反应条件:
参考文献:
Synthesis and β-lactamase inhibitory properties of 2β-[(1,2,3-triazol-1-yl)methyl]-2α-methylpenam-3α-carboxylic acid 1,1-dioxide and related triazolyl derivatives
Micetich, Ronald G.; Maiti, Samarendra N.; Spevak, Paul; Hall, Tse W.; Yamabe, Shigeru; et al, Journal of Medicinal Chemistry, 1987, 30(8), 1469-74
合成路线:1 步
参考文献:
Penam derivatives
, European Patent Organization, , ,

他唑巴坦钠(89785-84-2)上下游

他唑巴坦钠(89785-84-2)参考资料

Reaxys RN:
Beilstein:
MFCD00917472
PubChem CID: