4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-(((2-propenylthio)acetyl)amino)-

CAS 87-09-2 MFCD00865077

化学结构图

87-09-2
SMILES: C=CCSCC(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O

化学属性

Mol. FormulaC13H18N2O4S2
Mol. Weight330.45

别名和识别编码

Chemical Name4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-(((2-propenylthio)acetyl)amino)-
Wiswesser Line NotationT45 ANV ESTJ CMV1S2U1 F1 F1 GVQ
Synonym Almecillin Allylthiomethylpenicillin Allylmercaptomethylpenicillin Penicillin O Cer-O-Cillin Penicillin AT Allylmercaptomethylpenicillinic acid
CAS Number87-09-2
Beilstein Registry Number0044307
PubChem Substance ID71365
InChIInChI=1S/C13H18N2O4S2/c1-4-5-20-6-7(16)14-8-10(17)15-9(12(18)19)13(2,3)21-11(8)15/h4,8-9,11H,1,5-6H2,2-3H3,(H,14,16)(H,18,19)/t8-,9+,11-/m1/s1
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安全信息

RTECSXI0100000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 38 mg/kg
TOXIC EFFECTS :
   Brain and Coverings - other degenerative changes
REFERENCE :
   JLCMAK Journal of Laboratory and Clinical Medicine.  (C.V. Mosby Co., 11830
   Westline Industrial Dr., St. Louis, MO 63141)  V.1-    1915-
   Volume(issue)/page/year: 34,126,1949

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Multiple routes
SPECIES OBSERVED        : Human - woman
DOSE/DURATION           : 35827 ug/kg/6D-I
TOXIC EFFECTS :
   Vascular - structural changes in vessels
REFERENCE :
   JOALAS Journal of Allergy.  (St. Louis, MO)  V.1-47, 1929-71.  For publisher
   information, see JACIBY.  Volume(issue)/page/year: 31,455,1960

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intracerebral
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 6490 ug/kg
TOXIC EFFECTS :
   Brain and Coverings - other degenerative changes
REFERENCE :
   JLCMAK Journal of Laboratory and Clinical Medicine.  (C.V. Mosby Co., 11830
   Westline Industrial Dr., St. Louis, MO 63141)  V.1-    1915-
   Volume(issue)/page/year: 34,126,1949

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intracerebral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 5610 ug/kg
TOXIC EFFECTS :
   Brain and Coverings - other degenerative changes
REFERENCE :
   JLCMAK Journal of Laboratory and Clinical Medicine.  (C.V. Mosby Co., 11830
   Westline Industrial Dr., St. Louis, MO 63141)  V.1-    1915-
   Volume(issue)/page/year: 34,126,1949

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intracerebral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION

系列性分类

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