Acenocoumarol 醋硝香豆素

CAS 152-72-7 MFCD00137816

化学结构图

152-72-7
SMILES: CC(=O)CC(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O

化学属性

Mol. FormulaC19H15NO6
Mol. Weight353
Melting Point196.0 to 200.0 deg-C

别名和识别编码

Chemical NameAcenocoumarol
MDL NumberMFCD00137816
CAS Number152-72-7
Synonym (±)-Acenocoumarin (±)-Acenocoumarin 3-(α-Acetonyl-p-nitrobenzyl)-4-hydroxy-coumarin 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)- 3-(α-Acetonyl-p-nitrobenzyl)-4-hydroxy-coumarin 3-(alpha-(4'-Nitrophenyl)-beta-acetylethyl)-4-hydroxycoumarin 3-(alpha-(p-Nitrophenol)-beta-acetylethyl)-4-hydroxycoumarin 3-(alpha-Acetonyl-4-nitrobenzyl)-4-hydroxycoumarin 3-(alpha-Acetonyl-p-nitrobenzyl)-4-hydroxy-coumarin 3-(alpha-p-Nitrophenyl-beta-acetylethyl)-4-hydroxycoumarin 4-Hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-2H-1-benzopyran-2-one Acenocoumarin Acenocoumarol Acenocumarol Acenokumarin Ascumar G-23350 Nicoumalone Nitrophenylacetylethyl-4-hydroxycoumarine Nitrovarfarian Nitrowarfarin Sincoumar Sinkumar Sinthrom Sinthrome Sintrom Sintroma Syncoumar Syncumar Syntrom Zotil 醋硝香豆素; 3-(1-对硝基苯基-3-氧代丁基)-4-羟基-2H-1-苯并吡喃-2-酮
EC Number205-807-3
Chemical Name Translation醋硝香豆素
Wiswesser Line NotationT66 BOVJ DY1V1&R DNW& EQ
PubChem Substance ID54676537
LabNetwork Molecule IDLN01092157
Reaxys-RN1269370
Merck Number29
InChIInChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3
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分类

  • {SNA} Analytical Standar
  • {SNA} A-AM,
  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, Pharmaceutical Standards, Pharmacopeia Standards, USP Standards, USP Standards A - B
  • {SNA} A-AM, Anticoagulants, Approved Therapeutics/Drug Candidates, Bioactive Small Molecules, Blood, Cell Biology, Cell Signaling and N
  • {SNA} A-AM, Anticoagulants, Approved Therapeutics/Drug Candidates, Bioactive Small Molecule Alphabetical Index, Blood, Fluorination Ready Pharma-Developed Compounds, Immune Cell Signaling and Blood, Novartis, 生物活性小分子, 细胞信号转导和神经科学,

相关文献及参考

  • Ufer, M., Comparative pharmacokinetics of vitamin K antagonists warfarin, phenprocoumon and acenocoumarol. Clin. Pharmacokinet. 44 , 1227-1246, (2005) 摘要
  • Thijssen, H.H., Flinois, J., Beaune, P.H., Cytochrome P4502C9 is the principal catalyst of racemic acenocoumarol hydroxylation reactions in human liver microsomes. Drug Metab. Dispos. 28 , 1284-1290, (2000) 摘要
  • Beinema M, Brouwers JR, Schalekamp T, Wilffert B, Pharmacogenetic differences between warfarin, acenocoumarol and phenprocoumon. Thromb. Haemost. 100 , 1052-1057, (2008) 摘要

安全信息

GHS Symbol
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/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。
  • 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。
  • 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。
  • P301+P312+P330
  • P305+P351+P338
  • P308+P313
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
WGK Germany3
RTECSGN4900000
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Hazard Codes Xn
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R63 Possible risk of harm to the unborn child 可能危害未出生婴儿
  • R22 Harmful if swallowed 吞咽有害
Storage condition <0°C 储存温度-20°C 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1470 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   THERAP Therapie.  (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris,
   France)  V.1-    1946-  Volume(issue)/page/year: 11,85,1956

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 115 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals",
   11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year:
   11,6,1989

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 513 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   29ZVAB "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland,
   OH, Chemical Rubber Co., 1969  Volume(issue)/page/year: -,3,1969

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Human - woman
DOSE                    : 24 mg/kg
SEX/DURATION            : female 1-28 week(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - craniofacial
   (including nose and tongue)
REFERENCE :
   AFPEAM Archives Francaises de Pediatrie.  (Doin Editeurs, 8, Place de
   l'Odeon, F-75006 Paris, France) V.1-    1942-  Volume(issue)/page/year:
   36,63,1979

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Cell Signaling and Neuroscience - Cell Biology
  4. Approved Therapeutics/Drug Candidates - Cell Signaling and Neuroscience
  5. Novartis - Approved Therapeutics/Drug Candidates
  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Cell Signaling and Neuroscience - Cell Biology
  4. Immune Cell Signaling and Blood - Cell Signaling and Neuroscience
  5. Blood - Immune Cell Signaling and Blood
  6. Anticoagulants - Blood

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