47747-56-8 (酞氨西林,Talampicillin)

CAS号:
47747-56-8
中文名称:
酞氨西林
英文名称:
Talampicillin
分子式:
C24H23N3O6S
分子量:
481.520924806595
简介:
酞氨西林(talampicillin)分子式为C24H23N3O6S,分子量为481.52100,密度为1.48g/cm3,沸点为770.9ºC at 760mmHg,闪点为420ºC,折射率为1.693。临床适用范围与氨苄西林相同,包括敏感菌所致呼吸系统、泌尿系统以及肠道感染等。

酞氨西林(47747-56-8)名称与标识符

名称

中文别名:
酞氨西林;氨苄西林酞酯;苄西林酞酯;酞氨苄西林;
英文别名:
Talampicillin;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester, (2S,5R,6R)-;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester, [2S-[2a,5a,6b(S*)]]-;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-aminophenylacetyl]amino]-3,3-dimethyl-7-oxo-, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester, (2S,5R,6R)- (9CI);3-Phthalidyl D-2-amino-2-phenylacetamidopenicillanic acid;Ampicillin phthalidyl ester;(3-oxo-1H-2-benzofuran-1-yl) (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;PC 183;Talampicilina;Talampicilline;Prestwick0_001010;EINECS 256-332-3;SCHEMBL34338;D08557;TALAMPICILLIN HYDROCHLORIDE [JAN];BRL-8988;CHEBI:9391;AKOS040754136;TALAMPICILLIN [MI];Talampicillinum;Talampicilina [INN-Spanish];SPBio_003020;(2S,5R,6R)-6-((R)-2-AMINO-2-PHENYLACETAMIDO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID ESTER WITH 3-HYDROXYPHTHALIDE;(2S,6R)-3-oxo-1,3-dihydroisobenzofuran-1-yl 6-((R)-2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;Talampicillin [INN:BAN];Talampicilline [INN-French];Talampicillinum [INN-Latin];47747-56-8;3-oxo-1,3-dihydro-2-benzofuran-1-yl (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;DB13814;Prestwick1_001010;Phthalidyl-((1)-6-(2-amino-2-phenylacetamido)penicillanat);Prestwick2_001010;Q3980350;CHEMBL1619785;BSPBio_001139;BPBio1_001253;BRL 8988;UNII-29OJI73DPC;AB00514716;TALAMPICILLIN [INN];Talampicillin (INN);29OJI73DPC;Talpen;Prestwick3_001010;4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester, (2S-(2alpha,5alpha,6beta(S*)))-;GTPL12289;TALAMPICILLIN [WHO-DD];3-Phthalidyl (2S,5R,6R)-6-((R)-2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptan-2-carboxylat;Ampicillin, Phthalidyl;Talampicillinum (INN-Latin);3-oxo-1,3-dihydro-2-benzofuran-1-yl (2S,5R,6R)-6-(((2R)-2-amino-2-phenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate;Talampicilina (INN-Spanish);Phthalidyl Ampicillin;J01CA15;DTXCID4028096;SOROUYSPFADXSN-SUWVAFIASA-N;DTXSID1048540;Talampicilline (INN-French);talampicillina;(3-oxo-1H-2-benzofuran-1-yl) (2S,5R,6R)-6-(((2R)-2-amino-2-phenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate;

标识符

InChIKey:
SOROUYSPFADXSN-SUWVAFIASA-N
Inchi:
1S/C24H23N3O6S/c1-24(2)17(22(31)33-23-14-11-7-6-10-13(14)21(30)32-23)27-19(29)16(20(27)34-24)26-18(28)15(25)12-8-4-3-5-9-12/h3-11,15-17,20,23H,25H2,1-2H3,(H,26,28)/t15-,16-,17+,20-,23?/m1/s1
SMILES:
S1C(C)(C)[C@H](C(=O)OC2C3C=CC=CC=3C(=O)O2)N2C([C@H]([C@@H]12)NC([C@@H](C1C=CC=CC=1)N)=O)=O

酞氨西林(47747-56-8)物化性质

实验特性

  • LogP : 2.67500
  • PSA : 153.33000
  • 折射率 : 1.693
  • 沸点 : 770.9°Cat760mmHg
  • 闪点 : 420°C
  • 密度 : 1.48

计算特性

  • 精确分子量 : 481.13100
  • 氢键供体数量 : 2
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 6
  • 同位素质量 : 481.131
  • 重原子数量 : 34
  • 复杂度 : 875
  • 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 : 1
  • 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) : 2.7
  • 拓扑分子极性表面积 : 153A^2

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