Dihydronovobiocin sodium salt

CAS 4627-98-9 MFCD04627989

化学结构图

4627-98-9
SMILES: COC1C(OC(N)=O)C(O)C(Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CCC(C)C)c4)c(=O)oc3c2C)OC1(C)C.[Na+]

化学属性

Mol. Weight637.70
Mol. FormulaC31H38N2O11.Na

别名和识别编码

Wiswesser Line NotationT66 BOVT&J DMVR DQ C2UY1&1& EQ IO- FT6OTJ B1 B1 CO1DVZ EQ FO1 &-NA-
Chemical NameNovobiocin, dihydro-, sodium salt
Synonym Dihydronovobiocin sodium salt
CAS Number4627-98-9
InChIKeyFGGFXNNDWQITFC-RNROJPEYSA-M
PubChem Substance ID118796855
InChIInChI=1S/C31H38N2O11.Na/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29;/h9-14,23,25-26,29,34-36H,7-8H2,1-6H3,(H2,32,39)(H,33,37);/q;+1/p-1/t23-,25+,26-,29-;/m1./s1
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安全信息

RTECSRD5185000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 11,549,1956

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 325 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 11,549,1956

系列性分类

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