Celesticetin salicylate

CAS 5333-75-5 MFCD05333755

化学结构图

5333-75-5
SMILES: COC(C)C(NC(=O)C1CCCN1C)C1OC(SCCOC(=O)c2ccccc2O)C(O)C(O)C1O.O=C(O)c1ccccc1O

化学属性

Mol. Weight666.81
Mol. FormulaC24H36N2O9S.C7H6O3

别名和识别编码

Wiswesser Line NotationT6OTJ BS2OVR BQ& CQ DQ EQ FYY1&O1&MV- BT5NTJ A1
Chemical NameCelesticetin, salicylate
Synonym U-4819 Hygramide
CAS Number5333-75-5
PubChem Substance ID21139468
InChIInChI=1S/C24H36N2O9S.C7H6O3/c1-13(33-3)17(25-22(31)15-8-6-10-26(15)2)21-19(29)18(28)20(30)24(35-21)36-12-11-34-23(32)14-7-4-5-9-16(14)27;8-6-4-2-1-3-5(6)7(9)10/h4-5,7,9,13,15,17-21,24,27-30H,6,8,10-12H2,1-3H3,(H,25,31);1-4,8H,(H,9,10)/t13-,15+,17-,18+,19-,20-,21-,24-;/m1./s1
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安全信息

RTECSFJ2540000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 174 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   UPJOH* "Compounds Available for Fundamental Research, Volume II-6,
   Antibiotics, A Program of Upjohn Company Research Laboratory."  (Kalamazoo,
   MI 49001)  Volume(issue)/page/year: 2(6),-,1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 196 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   UPJOH* "Compounds Available for Fundamental Research, Volume II-6,
   Antibiotics, A Program of Upjohn Company Research Laboratory."  (Kalamazoo,
   MI 49001)  Volume(issue)/page/year: 2(6),-,1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 746 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   UPJOH* "Compounds Available for Fundamental Research, Volume II-6,
   Antibiotics, A Program of Upjohn Company Research Laboratory."  (Kalamazoo,
   MI 49001)  Volume(issue)/page/year: 2(6),-,1971

系列性分类

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