Celesticetin

CAS 2520-21-0 MFCD01711036

化学结构图

2520-21-0
SMILES: CO[C@H](C)[C@@H](NC(=O)[C@@H]1CCCN1C)[C@H]1O[C@H](SCCOC(=O)c2ccccc2O)[C@H](O)[C@@H](O)[C@H]1O

化学属性

Mol. FormulaC24H36N2O9S
Mol. Weight528.68

别名和识别编码

Chemical NameD-erythro-D-galacto-Octopyranoside,2-hydroxyethyl-6,8-dideoxy-7-O-methyl-6-(1-methyl-L-2-pyrrolidinecarboxamido)-1-thio-, monosalicylate(ester), alpha-
Synonym Celesticetin U-5524 celesticetin celesticetin A
CAS Number2520-21-0
Wiswesser Line NotationT6OTJ BS2OVR BQ& CQ DQ EQ FYY1&O1&MV- BT5NTJ A1
Beilstein Registry Number0068470
PubChem Substance ID220087
InChIInChI=1S/C24H36N2O9S/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/h4-5,7,9,13,15,17-21,24,27-30H,6,8,10-12H2,1-3H3,(H,25,31)
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安全信息

RTECSRH6125000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CNCRA6 Cancer Chemotherapy Reports.  (Bethesda, MD)  V.1-52, 1959-68.  For
   publisher information, see CTRRDO.  Volume(issue)/page/year: 30,9,1963

系列性分类

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