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海他西林 | 3511-16-8

海他西林结构式图片|3511-16-8结构式图片
海他西林
hetacillin
3511-16-8
C19H23N3O4S
389.48
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:海他西林结构式
海他西林MOL
443387
简介
海他西林,别名为缩酮氨苄西林,其英文名为Hetacillin。本品为酰脲类广谱抗绿脓杆菌抗生素。对革兰阳性球菌和阴性球菌的作用与氨苄西林相似。对氨苄西林敏感的阴性杆菌对本品亦敏感。本品优于氨苄西林的特点为对绿脓杆菌有较强作用,对肺炎克雷白杆菌的作用也优于其他青霉素类抗生素。本品对β-内酰胺酶不稳定。抗菌作用机制同青霉素。用于敏感菌所致的感染,如菌血症、呼吸系统感染、心内膜炎、脑膜炎、泌尿系统感染、胆管或肠道感染等。
名称和标识符
MDL MFCD00056861
InChIKey DXVUYOAEDJXBPY-NFFDBFGFSA-N
Inchi InChI=1S/C19H23N3O4S/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h5-9,11-13,16,20H,1-4H3,(H,25,26)/t11-,12-,13+,16-/m1/s1
SMILES O=C([C@@H](C(C)(C)S[C@]1([H])[C@@H]2N(C(C)(C)N[C@@H]3C4=CC=CC=C4)C3=O)N1C2=O)O
别名信息
- 中文别名 -
  • 海他西林
  • 缩酮氨苄青霉素
- 英文别名 -
  • hetacillin
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(4R)-2,2-dimethyl-5-oxo-4-phenyl-1-imidazolidinyl]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-(2,2-dimethyl-5-oxo-4-phenyl-1-imidazolidinyl)-3,3-dimethyl-7-oxo-, D-(-)- (8CI)
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-(2,2-dimethyl-5-oxo-4-phenyl-1-imidazolidinyl)-3,3-dimethyl-7-oxo-, [2S-[2a,5a,6b(S*)]]-
  • BL-P 804
  • BRL 804
  • Etacillin
  • Penplenum
  • Phenazacillin
  • Versapen
  • Versatrex
  • Vimocilin
  • 7-(2,2-DIMETHYL-5-OXO-4-PHENYL-IMIDAZOLIDIN-1-YL)-3,3-DIMETHYL-6-OXO-2-THIA-5-AZABICYCLO[3.2.0]HEPTANE-4-CARBOXYLIC ACID
  • 6-(2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl)penicillanic acid
  • 6-[2,2-Dimethyl-5-oxo-4-phenyl-1-imidazolidinyl] penicillanic acid
  • EINECS 222-512-5
  • DTXSID4023121
  • HETACILLIN [INN]
  • Hetacillin [USAN:USP:INN:BAN]
  • Hetacillin acid
  • Hetacilina [INN-Spanish]
  • Etacillina [DCIT]
  • Hetacillinum
  • HETACILLIN [ORANGE BOOK]
  • (2S,%R,6R)-6-(2,2-Dimethyl-5-oxo-4-phenyl-1-imidazolidinyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptan-2-carbonsaeure
  • 6beta-((4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl)penicillanic acid
  • Hetacilina (INN-Spanish)
  • HETACILLIN (MART.)
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2,2-dimethyl-5-oxo-4-phenyl-1-imidazolidinyl)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta(S*)))-
  • Hetacillin (USAN/INN)
  • DB00739
  • Hetacillinum [INN-Latin]
  • 4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(2,2-DIMETHYL-5-OXO-4-PHENYL-1-IMIDAZOLIDINYL)-3,3-DIMETHYL-7-OXO-, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.(S*)))-
  • HETACILLIN [MI]
  • (2S,5R,6R)-6-((R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • Hetacilina
  • 4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-((4R)-2,2-DIMETHYL-5-OXO-4-PHENYL-1-IMIDAZOLIDINYL)-3,3-DIMETHYL-7-OXO-, (2S,5R,6R)-
  • 7-(2,2-dimethyl-5-oxo-4-phenyl-imidazolidin-1-yl)-3,3-dimethyl-6-oxo-2-thia-5-azabicyclo[3.2.0]heptane-4-carboxylic acid
  • Hetacilline
  • BRL-804
  • DTXCID503121
  • Hetacillinum (INN-Latin)
  • HETACILLIN [MART.]
  • 6-(2,2-Dimethyl-5-oxo-4-phenyl-1-imidazolidinyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • HY-16251A
  • N,N'-Isopropylidene-A-amino-benzyl penicillin
  • 3511-16-8
  • (2S,5R,6R)-6-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2S,5R,6R)-6-((4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • 6beta-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]-2,2-dimethylpenam-3alpha-carboxylic acid
  • CHEMBL1201116
  • DXVUYOAEDJXBPY-NFFDBFGFSA-N
  • 6-(2,2-Dimethyl-5-oxo-4-phenyl-1-imidazolidinyl)penicillansaeure
  • Etacillina
  • Hetacillin (USAN:USP:INN:BAN)
  • 6-(2,2-Dimethyl-5-oxo-4-phenyl-1-imidazolidinyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • 6beta-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]penicillanic acid
  • Hetacilline [INN-French]
  • HETACILLIN [WHO-DD]
  • SCHEMBL34131
  • CS-4870
  • BL-P-804
  • BLP-804
  • CHEBI:5683
  • Hetacilline (INN-French)
  • Versapen (TN)
  • GTPL12263
  • UNII-TN4JSC48CV
  • Q5746710
  • HETACILLIN [USAN]
  • EN300-19734686
  • AKOS027381814
  • D01074
  • 6beta-((4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl)-2,2-dimethylpenam-3alpha-carboxylic acid
  • TN4JSC48CV
物化性质
实验特性
LogP 1.61570
PSA 115.25000
折射率 1.672
沸点 648.4°Cat760mmHg
熔点 189.2-191.0°
闪点 345.9°C
比旋光度 D25 +366° (pyridine)
密度 1.43
计算特性
精确分子量 389.14100
氢键供体数量 2
氢键受体数量 7
可旋转化学键数量 3
同位素质量 389.141
重原子数量 27
复杂度 688
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) -0.6
拓扑分子极性表面积 115A^2
相关文献
专业数据库参考
PubChemId 443387
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