Aescine 七叶皂素

CAS 6805-41-0 MFCD00076054

化学结构图

6805-41-0
SMILES: CC=C(C)C(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C

化学属性

Mol. FormulaC55H86O24
Mol. Weight1131

别名和识别编码

Chemical NameAescine
MDL NumberMFCD00076054
CAS Number6805-41-0
Synonym A-4700 Aescin Aescusan Amorphous aescin Escin Escina Reparilu beta-Aescinu; beta-Reparil
PubChem Substance ID16211024
EC Number229-880-6
InChIKeyAXNVHPCVMSNXNP-ZELRDNAQSA-N
Chemical Name Translation七叶皂素
LabNetwork Molecule IDLN02126985
InChIInChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+/t26?,27-,28-,29?,30?,31-,32?,33-,34-,35+,36+,37-,38-,39+,40+,41-,42+,43?,44+,47+,48-,49-,51?,52-,53?,54-,55?/m1/s1
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分类

  • {SNA} Biochemicals and Reagents, Carbohydrates, Carbohydrates A to Z, Carbohydrates D-F, Nutrition Research, Panax ginseng, Phytochemicals by Plant (Food/Spice/Herb), Polysaccharide
  • {SNA} Carbohydrates A to Z, Carbohydrates D-F, Panax ginseng, Phytochemicals by Plant (Food/Spice/Herb), Polysaccharide, 生化试剂, 碳水化合物, 细胞生物学, 营养研究

安全信息

GHS Symbol
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H319 Causes serious eye irritation 严重刺激眼睛
WGK Germany2
Signal word Warning
RTECSKF6296000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn
Risk Statements
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 833 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 8,118,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE

TYPE OF TEST            : LD50 - Let

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 2500 mg/kg
TOXIC EFFECTS :
   Liver - hepatitis (hepatocellular necrosis), diffuse
   Kidney, Ureter, Bladder - changes in tubules (including acute renal failure,
   acute tubular necrosis)
   Blood - other hemolysis with or without anemia
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 10,280,1960

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BCFAAI Bollettino Chimico Farmace

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 6700 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,APP-2,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 36 mg/kg
SEX/DURATION            : female 7-16 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   BLLIAX Bratislavske Lekarske Listy.  (PNS-Ustredna Expedicia a Dovoz Tlace,
   Gottwaldovo nam. 6, 813 81 Bratislava, Czechoslovakia)  V.1-    1921-
   Volume(issue)/page/year: 87,76,1987

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 81250 mg/kg
SEX/DURATION            : female 6-18 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 9,1227,1975

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 325 mg/kg
SEX/DURATION            : female 6-18 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - extra-embryonic structures
   (e.g., placenta, umbilical cord)
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 9,1227,1975

Precautionary statements
  • P301+P312+P330
  • P305+P351+P338

系列性分类

  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Chemical Classification - Nutrition Research
  4. Plant Extracts - Phytochemicals by Chemical Classification
  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Carbohydrates - Biochemicals and Reagents
  4. Polysaccharide - Carbohydrates
  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Plant (Food/Spice/Herb) - Nutrition Research
  4. Panax ginseng - Phytochemicals by Plant (Food/Spice/Herb)
  1. Chemical Synthesis 化学合成
  2. Chemical Biology 生物化学
  3. Carbohydrate Chemistry - Chemical Biology
  4. Carbohydrate Derivatives 碳水化合物衍生物

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