(1R,2R,2aR,3aS,3bR,5aR,7S,9aS,9bS,11aR)-7-Hydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)hexadecahydronaphtho[1",2":6,7]indeno[1,7a-b]oxiren-2-yl acetate (1R,2R,2aR,3aS,3bR,5aR,7S,9aS,9bS,11aR)-7-羟基-9a,11a-二甲基-1-(2-氧代-2H-吡喃-5-基)十六氢萘并[1",2":6,7]茚并[1,7a-b]环氧乙烷-2-基 乙酸酯

CAS 470-37-1 MFCD00056825

化学结构图

470-37-1
SMILES: CC(=O)O[C@@H]1[C@H](C2C=CC(=O)OC=2)[C@@]2(C)CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@]32O[C@@H]31

化学属性

Mol. FormulaC26 H34 O6
Mol. Weight442.54
Melting Point213-215

别名和识别编码

Chemical Name(1R,2R,2aR,3aS,3bR,5aR,7S,9aS,9bS,11aR)-7-Hydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)hexadecahydronaphtho[1",2":6,7]indeno[1,7a-b]oxiren-2-yl acetate
Synonym 14,15β-Epoxy-3β,16β-dihydroxy-5β,20(22)-bufadienolide 16-acetate 5β,20(22)-Bufadienolide-3β,16β-diol-14,15β-epoxy 16-acetate 14,15-Epoxy-3,16-dihydroxy-5,20(22)-bufadienolide 16-acetate, 5,20(22)-Bufadienolide-3,16-diol-14,15-epoxy 16-acetate 14,15β-Epoxy-3β,16β-dihydroxy-5β,20(22)-bufadienolide 16-acetate 14,15β-Epoxy-3β,16β-dihydroxy-5β,20(22)-bufadienolide 16-acetate 5β,20(22)-Bufadienolide-3β,16β-diol-14,15β-epoxy 16-acetate 14,15β-Epoxy-3β,16β-dihydroxy-5β,20(22)-bufadienolide 16-acetate, 5β,20(22)-Bufadienolide-3β,16β-diol-14,15β-epoxy 16-acetate 5b,20(22)-Bufadienolide-3b,16b-diol-14,15b-epoxy 16-acetate 5β-Bufa-20,22-dienolide, 14,15β-epoxy-3β,16β-dihydroxy-, 16-acetate Cino-Bufagin Cino-bufagin Cinobufagin Cinobufagine
MDL NumberMFCD00056825
CAS Number470-37-1
PubChem Substance ID24892393
Chemical Name Translation(1R,2R,2aR,3aS,3bR,5aR,7S,9aS,9bS,11aR)-7-羟基-9a,11a-二甲基-1-(2-氧代-2H-吡喃-5-基)十六氢萘并[1",2":6,7]茚并[1,7a-b]环氧乙烷-2-基 乙酸酯
LabNetwork Molecule IDLN01278147
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分类

  • {SNA} Bioactive Small Molecule Alphabetical Index, CI-CZ, Toad, Toxins and Venoms, 生物活性小分子, 细胞信号转导和神经科学, 细胞生物学
  • {SA} Cell Biology, Cell Signaling and Neuroscience, Toad, Toxins and Venoms
  • {SNA} Cell Signaling and Neuroscience, Toad, Toxins and Venoms,

相关文献及参考

  • Short: III/5b Title: Structure Data of Organic Crystals: C 14 ... C 120 Author: Schudt, E.; Weitz, G. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/5b Year: 1971 ISBN: 3-540-05177-5 ISBN: 978-3-540-05177-0 Internet Resource: DOI:10.1007/b19970 RefComment: XXI, 736 pages, and VII, 890 pages. Hardcover Abstract: Volume III/5 offers a compitation as complete as possible of the space groups and lattice con-stants of all crystals which have been studied by means of X-rays, neutron and electron diffraction.

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P302+P350
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
Hazard statements
  • H330 Fatal if inhaled 吸入致命
  • H310 Fatal in contact with skin 皮肤接触致命
  • H300 Fatal if swallowed 吞食致命
RTECSEI2955000
Signal word Danger
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Hazard Codes 6.1 T+
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
  • R26/27/28 Very toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有剧毒
UN Number 2811 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1210 ug/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - antipsychotic
REFERENCE :
   CPBTAL Chemical and Pharmaceutical Bulletin.  (Japan Pub. Trading Co., USA,
   1255 Howard St., San Francisco, CA 94103)  V.6-    1958-
   Volume(issue)/page/year: 24,1714,1976

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 230 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 49,561,1933

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 209 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PAHEAA Pharmaceutica Acta Helvetiae.  (Schweizerische Apothekerzeitung,
   Postfach 3006, CH3000 Bern, 7, Switzerland)  V.1-    1926-
   Volume(issue)/page/year: 24,222,1949

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 144 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - ptosis
   Behavioral - somnolence (general depressed activity)
   Behavioral - ataxia
REFERENCE :
   NYKZAU Nippon Yakurigaku Zasshi.  Japanese Journal of Pharmacology. (Nippon
   Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho,
   Yoshid

Packing GroupI
Storage condition +4°C 4℃

系列性分类

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