Digoxigenin 地高辛配基

CAS 1672-46-4 MFCD00871861

化学结构图

1672-46-4
SMILES: C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O

化学属性

Mol. FormulaC₂₃H₃₄O₅
Mol. Weight390.51
Melting Point>200°C (dec.)
Boiling Point
Flash Point-

别名和识别编码

Chemical NameDigoxigenin
Synonym (3beta,5beta,12beta)-3,12,14-trihydroxycard-20(22)-enolide (3β,5β,12β)-3,12,14-trihydroxycard-20(22)-enolide 20(22),5BETA-CARDENOLID 3,12,14-trihydroxy-,(3-beta,5-beta,12-beta)-card-20(22)-enolid 3-beta,12,14-trioxy-carden-(20:22)-olid 3-beta,12,14-trioxy-digen-(20:22)-olid 3-beta,12-beta,14-trihydroxy-5-beta-card-20(22)-enolid 3-beta,12-beta,14-trihydroxy-card-20(22)-enolide 3-β,12-β-14-Trihydroxycard-20(22)enolide 3BETA,12BETA,14-TRIHYDROXY-5BETA,20[22]-CARDENOLIDE 3BETA,12BETA,14BETA,21-TETRAHYDROXY-20(22) NORCHOLENIC ACID LACTONE 3β,12β,14β,21-tetrahydroxy-20(22)-norcholenic acid lactone 5β,20(22)-Cardenolide-3β,12β,14-triol 5β,20(22)-Cardenolide-3β,12β,14-triol 异羟基洋地黄毒苷元 毛地黄叶毒苷 毛地黄毒苷 5BETA,20[22]-CARDENOLIDE-3BETA,12BETA,14-T
MDL Number-
PubChem Substance ID15478
Beilstein Registry Number0096479
CAS Number1672-46-4
EC Number216-806-2
Chemical Name Translation地高辛配基
Merck Number13,3188
Wiswesser Line NotationL E5 B666TJ A1 DQ E1 F- DT5OV CUTJ IQ OQ
InChIInChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1
Canonical SMILES-
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分类

  • {SNA} 1694 Pharmaceuticals & Personal Care Products, Alphabetical Index of Analytical Standards, Analytical Standards, Biochemicals and Reagents, Chemical Structure, Chromatography, Conjugates, D, DID - DIN, Drugs & Metabolites, Drugs of Abuse, EPA, Forensic and Veterinary Standards, Method and Regulation Specific, Neat Compounds, Neats, Steroid, Sterol Lipids, 分析/色谱, 脂类
  • {SNA} Analytical Standards, Chromatography, EP Standards, EP Standards C - D, Pharmaceutical Standards, Pharmac

相关文献及参考

  • Merck 14 ,3166
  • Beil. 18 ,V,4,380
  • 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

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。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P301+P310
  • P302+P350
  • P304+P340
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P320 Specific treatment is urgent (see … on this label). 紧急具体治疗（见本标签上的）。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • 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
  • H310 Fatal in contact with skin 皮肤接触致命
  • H330 Fatal if inhaled 吸入致命
Hazard Codes T+
Signal word Danger
RTECSFH5390000
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • 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）；
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
Packing GroupII
Hazard Class6.1(a)
UN Number UN 2811 6.1/PG 1 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 285 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85ELDJ "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster,
   Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963  Volume(issue)/page/year:
   -,55,1963

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 3545 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            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 244 ug/kg
TOXIC EFFECTS :
   Gastrointestinal - nausea or vomiting
REFERENCE :
   JPHAA3 Journal of the American Pharmaceutical Association.  (Washington, DC)
    V.1-28, 1912-39; New series: V.1-17, 1961-77. Volume(issue)/page/year:
   27,189,1938

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Bird - pigeon
DOSE/DURATION           : 1620 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

Storage condition 2-8°C 4 4°C

其他信息

  • MOL 文件:1672-46-4.mol
  • Sigma Aldrich:1672-46-4(sigmaaldrich)

系列性分类

  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Lipids - Biochemicals and Reagents
  4. Sterol Lipids - Lipids
  5. Conjugates - Sterol Lipids
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. D - Alphabetic
  5. DID - DIN - D

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