Penicillin X (2S,5R,6R)-6-(2-(4-羟基苯基)乙酰氨基)-3,3-二甲基-7-氧代-4-硫杂-1-氮杂双环[3.2.0]庚烷-2-羧酸 ( 青霉素杂质）

CAS 525-91-7 MFCD01682097

化学结构图

525-91-7
SMILES: CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O

化学属性

Mol. FormulaC16H18N2O5S
Mol. Weight350.39

别名和识别编码

Chemical NamePenicillin X
Wiswesser Line NotationT45 ANV ESTJ CMV1R DQ& F1 F1 GVQ
Synonym (2S,5R,6R)-6-(2-(4-Hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (Penicillin Impurity) {LY} (2S,5R,6R)-6-(2-(4-Hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (Penicillin Impurity) {} {LY} (2S,5R,6R)-6-(2-(4-Hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (Penicillin Impurity) {} {} {LY} (2S,5R,6R)-6-(2-(4-Hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (Penicillin Impurity) {} {} {} {LY} (2S,5R,6R)-6-(2-(4-Hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (Penicillin Impurity) {} {} {} {} {LY} (2S,5R,6R)-6-(2-(4-Hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (Penicillin Impurity) {} {} {} {} {} {LY} (2S,5R,6R)-6-(2-(4-Hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]h
CAS Number525-91-7
Beilstein Registry Number0049686
PubChem Substance ID120720
InChIInChI=1S/C16H18N2O5S/c1-16(2)12(15(22)23)18-13(21)11(14(18)24-16)17-10(20)7-8-3-5-9(19)6-4-8/h3-6,11-12,14,19H,7H2,1-2H3,(H,17,20)(H,22,23)/t11-,12+,14-/m1/s1
Chemical Name Translation(2S,5R,6R)-6-(2-(4-羟基苯基)乙酰氨基)-3,3-二甲基-7-氧代-4-硫杂-1-氮杂双环[3.2.0]庚烷-2-羧酸 ( 青霉素杂质）
Canonical SMILESO=C(N[C@@]1([H])[C@](SC(C)(C)[C@]2([H])C(O)=O)([H])N2C1=O)CC3=CC=C(O)C=C3
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安全信息

RTECSXH8975000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- ,  Berdy, J., Boca
   Raton, FL, CRC Press, 1980-  Volume(issue)/page/year: 4(1),91,1980

Storage condition

系列性分类

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