Digitoxigenin 毛地黄毒苷配基

CAS 143-62-4 MFCD00003687

化学结构图

143-62-4
SMILES: C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O

化学属性

Mol. FormulaC23H34O4
Mol. Weight374.51
Melting Point253-255 °C
Boiling Point423.5 °C at 760 mmHg

别名和识别编码

Chemical NameDigitoxigenin
Synonym Digitoxigenin {LY} Digitoxigenin {} {LY} Digitoxigenin {} {} {LY} Digitoxigenin {} {} {} {LY} Digitoxigenin {} {} {} {} {LY} Digitoxigenin {} {} {} {} {} {LY} Digitoxigenin {} {} {} {} {} {} {LY} Digitoxigenin {} {} {} {} {} {} {} {LY} Digitoxigenin {} {} {} {} {} {} {} {} {LY} Digitoxigenin {} {} {} {} {} {} {} {} {} {LY} Digitoxigenin {} {} {} {} {} {} {} {} {} {} {LY} Digitoxigenin {} {} {} {} {} {} {} {} {} {} {} {LY} Digitoxigenin {} {} {} {} {} {} {} {} {} {} {} {} {LY} Digitoxigenin {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Digitoxigenin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Digitoxigenin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Digitoxigenin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Digitoxigenin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00003687
CAS Number143-62-4
Beilstein Registry Number18(3/4)1468
EC Number205-603-4
PubChem Substance ID4369270
Reaxys-RN95448
Merck Number3162
Chemical Name Translation毛地黄毒苷配基
Wiswesser Line NotationL E5 B666TJ A1 E1 F- DT5OV CUTJ IQ OQ
LabNetwork Molecule IDLN01290891
InChIInChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1
Canonical SMILESO[C@@]12[C@@]3([H])[C@@](CC[C@@]1([C@@H](C(CO4)=CC4=O)CC2)C)([H])[C@@]5([C@](C[C@H](CC5)O)([H])CC3)C
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分类

  • {SNA} non-ionic
  • {uni_hamburg} no charge; oxygen heterocycle; carbocycle; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; 10ring; 13ring; 14ring; 17ring; ester; lactone; alcohol; chiral; 1fragment
  • {SNA} Detergents A to M, Non-Ionic Detergents, 去垢剂, 生化试剂
  • {SNA} Biochemicals and Reagents, Detergents, Detergents A to M, Non-Ionic Detergents

相关文献及参考

  • Short: III/10b Title: Structure Data of Organic Crystals: C 16 ... C 168 Author: Schudt-Weitz, G.; Strell, I. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/10b Year: 1985 ISBN: 3-540-13932-X ISBN: 978-3-540-13932-4 Internet Resource: DOI:10.1007/b19985 RefComment: XIX,652 pages. Hardcover
  • 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.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

GHS Symbol
WGK Germany3
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P301+P310
  • P301+P310+P330
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H300 Fatal if swallowed 吞食致命
RTECSFH4975000
Signal word Danger
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Safety Statements
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Hazard Codes T
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
Packing GroupII
UN Number UN 3462 6.1/PG 2 2811
Hazard Class6.1 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1131 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   LIFSAK Life Sciences.  (Pergamon Press Inc., Maxwell House, Fairv

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 1419 ug/kg
TOXIC EFFECTS :
   Brain and Coverings - recordings from specific areas of CNS
   Behavioral - convulsions or effect on seizure threshold
   Cardiac - other changes
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 153,436,1965

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1600 ug/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 11,848,1961

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Bird - pigeon
DOSE/DURATION           : 600 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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: 8,18,1960

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

Storage condition 2-8°C, sealed storage, away from moisture and light {LY} 2-8°C, sealed storage, away from moisture and light {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture and light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C

其他信息

  • 类别:有毒物质
  • 毛地黄毒苷配基价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D0541 毛地黄毒苷配基 Digitoxigenin 10MG 596元
  • MOL 文件:143-62-4.mol
  • 图谱信息:毛地黄毒苷配基(143-62-4)质谱(MS) 毛地黄毒苷配基(143-62-4)红外图谱(IR1)
  • Sigma Aldrich:143-62-4(sigmaaldrich)
  • TCI Shanghai:毛地黄毒苷配基 Digitoxigenin(143-62-4)

系列性分类

  1. Application Areas 应用领域分类
  2. Detergents 去污剂洗净剂
  3. Detergents A to M - Detergents
  1. Application Areas 应用领域分类
  2. Detergents 去污剂洗净剂
  3. Anionic Detergents - Detergents
  1. Application Areas 应用领域分类
  2. Detergents 去污剂洗净剂
  3. Non-Ionic Detergents - Detergents
  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Building Blocks 手性分子砌块
  4. Complex Molecules - Chiral Building Blocks
  1. Life Science 生命科学
  2. Biochemistry / Glyco-Chemistry
  3. Steroids

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