23736-58-5 (苄星邻氯青霉素,Cloxacillin Benzathine (2:1))

CAS号:
23736-58-5
中文名称:
苄星邻氯青霉素
英文名称:
Cloxacillin Benzathine (2:1)
分子式:
C54H56Cl2N8O10S2
分子量:
1112.10604858398

苄星邻氯青霉素(23736-58-5)名称与标识符

名称

中文别名:
苄星邻氯青霉素;邻氯苄星;苄星邻氯青霉素 USP标准品;苄星氯唑西林;苄星青霉素;邻氯苄星氯唑西林;邻氯青霉素苄星;氯唑苄星青霉素;邻氯苄星青霉素;苄星氯唑西林/邻氯苄星氯唑西林/氯唑苄星青霉素/邻氯苄星青霉素;氯西林苄星;
英文别名:
Cloxacillin benzathine;(2S-(2alpha,5alpha,6beta))-6-(((3-(2-Chlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid N,N'-bis(phenylmethyl)-1,2-ethanediamine (2:1);3-(2-Chlorphenyl)-5-methyl-4-isoxazolylpenicillin (Dibenzylethylendiamin-Salz);4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid,6-(((3-(2-chlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-;4-Thia-1-azabicyclo3.2.0heptane-2-carboxylic acid,6-3-(2-chlorophenyl)-5-methyl-4-isoxazolylcarbonylamino-3,3-dimethyl-7-oxo-,(2S,5R,6R)-,compd. with N,N-bis(phenylmethyl)-1,2-ethanediamine (2:1);Cloxacillin Benzathine (200 mg);CLOXACILLIN BENZATHINE [USP-RS];CLOXACILLIN BENZATHINE [GREEN BOOK];(2S,5R,6R)-6-(3-(o-Chlorophenyl)-5-methyl-4-isoxazolecarboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid compound with N,N'-dibenzylethylenediamine (2:1);D03571;UNII-AC79L7PV2G;CLOXACILLIN BENZATHINE SALT [MI];CLOXACILLIN BENZATHINE [MART.];Q27122555;Cloxacillin Benzathine (2:1);DTXCID201477864;Dry-Clox;CLOXACILLIN BENZATHINE [USP MONOGRAPH];CHEMBL3989531;23736-58-5;(2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;N,N'-dibenzylethane-1,2-diamine;CLOXACILLIN BENZATHINE (USP-RS);Benzathine cloxacillin;Cloxacillin Benzathine [USP];AKOS015896300;Orbenin DC;Cloxacillin benzathine salt;CLOXACILLIN BENZATHINE (MART.);DTXSID101020014;Cloxacillin benzathine (USP);Dry-Clox Intramammary Infusion;EINECS 245-855-2;Orbenin-DC;Cloxacillin, N,N'-dibenzylethylendiamin-salz;SCHEMBL150744;CLOXACILLIN BENZATHINE (USP MONOGRAPH);AC79L7PV2G;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, [2S-(2alpha,5alpha,6beta)]-, compd. with N,N'-bis(phenylmethyl)-1,2-ethanediamine (2:1);microsterile;4-Thia-1-azabicyclo3.2.0heptane-2-carboxylic acid, 6-3-(2-chlorophenyl)-5-methyl-4-isoxazolylcarbonylamino-3,3-dimethyl-7-oxo-, (2S,5R,6R)-, compd. with N,N-bis(phenylmethyl)-1,2-ethanediamine (2:1);4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-, [2S-(2α,5α,6β)]-, compd. with N,N'-bis(phenylmethyl)-1,2-ethanediamine (2:1);4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((3-(2-chlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta))-, compd. with N,N'-bis(phenylmethyl)-1,2-ethanediamine (2:1);Cloxacillinbenzathine;FC171054;245-855-2;

标识符

InChIKey:
COCFKSXGORCFOW-VZHMHXRYSA-N
Inchi:
1S/2C19H18ClN3O5S.C16H20N2/c2*1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);1-10,17-18H,11-14H2/t2*13-,14+,17-;/m11./s1
SMILES:
ClC1C=CC=CC=1C1C(=C(C)ON=1)C(N[C@@H]1C(N2[C@@H](C(=O)O)C(C)(C)S[C@@H]21)=O)=O.ClC1C=CC=CC=1C1C(=C(C)ON=1)C(N[C@@H]1C(N2[C@@H](C(=O)O)C(C)(C)S[C@@H]21)=O)=O.N(CC1C=CC=CC=1)CCNCC1C=CC=CC=1

苄星邻氯青霉素(23736-58-5)物化性质

实验特性

  • LogP : 4.89060
  • PSA : 164.93000
  • 熔点 : >145°C (dec.)
  • 溶解度 : Methanol (Slightly, Sonicated), Water (Slightly)

计算特性

  • 精确分子量 : 697.21000
  • 氢键供体数量 : 6
  • 氢键受体数量 : 16
  • 可旋转化学键数量 : 15
  • 同位素质量 : 1110.2937877g/mol
  • 重原子数量 : 76
  • 复杂度 : 893
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 6
  • 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 : 3
  • 拓扑分子极性表面积 : 300Ų

苄星邻氯青霉素(23736-58-5)安全信息

苄星邻氯青霉素(23736-58-5)国际标准相关数据

EINECS:
245-855-2

苄星邻氯青霉素(23736-58-5)海关数据

海关编码:
2941106000

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苄星邻氯青霉素(23736-58-5)参考资料

Reaxys RN:
PubChem CID: