Ouabain

CAS 630-60-4 MFCD00003688

化学结构图

630-60-4
SMILES: CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O

化学属性

Mol. FormulaC29H44O12
Mol. Weight584.73

别名和识别编码

Chemical NameOuabain
Synonym Oubain Acocantherin G-Strophanthin Gratus strophanthin Gratibain Purostrophan Ouabaine Astrobain Strophanthin G g-Strophanthin Strophoperm Ouabagenin-L-rhamnosid Ouabagenin L-rhamnoside
CAS Number630-60-4
Wiswesser Line NotationL E5 B666TJ A1Q CQ E1 IQ MQ QQ F- DT5OV EHJ& OO-BT6OTJ CQ DQ EQ F1
Beilstein Registry Number0101712
Chemical Name Translation
LabNetwork Molecule IDLN01343837
PubChem Substance ID439501
InChIInChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
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安全信息

Warnings 危化品目录(2015) 危险化学品
RTECSRN3675000 
TYPE OF TEST            : LD95 - Lethal Dose
ROUTE OF EXPOSURE       : Intraduodenal
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 3340 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 8,557,1958

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURA

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 125 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   22,336,1972

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 100 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 23,1125,1973

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 1500 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig,
   Ger. Dem. Rep.)  Volume(issue)/page/year: 4,1289,1935

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Human Lung
DOSE/DURATION           : 10 nmol/L
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 9,2245,1988

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 513 umol/L
REFERENCE :
   MUTAEX Mutagenesis. (Oxford Univ. Press, Pinkhill House, Southfield Road,
   Eynsham, Oxford OX8 1JJ, UK) V.1- 1986-  Volume(issue)/page/year: 3,193,1988

系列性分类

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