Plumbagin 1,4-二氨基-2,3-二氯蒽醌

CAS 481-42-5 MFCD00001682

化学结构图

481-42-5
SMILES: CC1=CC(=O)c2c(O)cccc2C1=O

化学属性

Mol. FormulaC11
Mol. Weight188
Density1.354
Melting Point76.0 to 79.0 deg-C

别名和识别编码

Chemical NamePlumbagin
Synonym 1,4-Naphthalenedione, 5-hydroxy-2-methyl- 1,4-Naphthoquinone, 5-hydroxy-2-methyl- 2-Methyl-5-hydroxy-1,4-naphthalenedione; 2-Methyl-5-hydroxy-1,4-naphthoquinone; 2-Methyljuglone; 5-Hydroxy-2-methyl-1,4-naphthoquinone; NSC 236613; NSC 688284; Plumbagine; Plumbagone 2-Methyl-5-hydroxy-1,4-naphthoquinone 2-Methyljuglone 2-methyl-5-hydroxy-1,4-naphthoquinone 5-Hydroxy-2-methyl-1,4-naphthalenedione 5-Hydroxy-2-methyl-1,4-naphthochinon 5-Hydroxy-2-methyl-1,4-naphthoquinone 5-Hydroxy-2-methyl-1,4-naphtochinon 5-Hydroxy-2-methyl-[1,4]naphthoquinone 5-hydroxy-2-methyl-(1,4)naphthoquinone 5-hydroxy-2-methyl-1,4-naphthoquinone Plumbaein Plumbagine Plumbagone plumbagin
CAS Number481-42-5
EC Number207-569-6
Beilstein Registry Number1870475
MDL NumberMFCD00001682
PubChem Substance ID10205
Reaxys-RN1870475
Merck Number7538
Chemical Name Translation1,4-二氨基-2,3-二氯蒽醌
Wiswesser Line NotationL66 BV EVJ C1 GQ
LabNetwork Molecule IDLN01321746
InChIInChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; large ring; fused rings; 6ring; 10ring; ketone; alcohol; 1fragment
  • {SNA} Anti-proliferative Agents, Phenols, Phytochemicals by Chemical Classification, 化学预防剂, 癌症研究, 细胞生物学, 营养研究
  • {SNA} Anti-proliferative Agents, Cancer Research, Cell Biology, Chemopreventive Agents, Nutrition Research, Phenols, Phytochemicals by Chemical Classification
  • {SNA} Anti-proliferative Agents, Cancer Research, Chemopreventive Agents, Nutrition Research, Phenols, Phytochemicals by Chemical Classification
  • {SNA} Anti-proliferative Agents, Chemopreventive Agents, Nutrition Research, Phenols,

相关文献及参考

  • Short: III/35C3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 3: Natural Compounds Author: Gupta, R.R.; Dobhal, M.P. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C3 Year: 2003 Keyword: chemical shift; coupling constant; molecular structure ISBN: 3-540-41058-9 ISBN: 978-3-540-41058-4 Internet Resource: DOI:10.1007/b76569 RefComment: VIII, 322 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • Short: III/35D4 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 4: Natural Products Author: Dobhal, M.P. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D4 Year: 2006 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-29732-1 ISBN: 3-540-29732-4 Internet Resource: DOI:10.1007/b13179 RefComment: VIII, 417 p., 1925 illus., Hardcover RefComment: Written for Scientists and engineers in the fields of physics, chemistry and physical chemistry who intend to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, oriented by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. The spectral lines of the nuclei are highl

安全信息

Signal word Danger
GHS Symbol
WGK Germany3
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;
  • S36/37/39 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);
  • S22 Do not breathe dust 不要吸入粉尘;
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
  • R25 Toxic if swallowed 吞咽有毒
  • R34 Causes burns 会导致灼伤
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。
  • 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+P310
  • P301+P330+P331
  • P301+P330+P331+P310
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
RTECSQL8500000
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 T
Hazard Class8/6.1
UN Number 2923
Packing GroupIII
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 65 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   IJMRAQ Indian Journal of Medical Research.  (Indian Council of Medical
   Research, Ansari Nagar, New Delhi 110 029, India)  V.1-    1913-
   Volume(issue)/page/year: 65,829,1977

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 16 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   IJEBA6 Indian Journal of Experimental Biology.  (Publications & Information
   Directorate, CSIR, Hillside Rd., New Delhi 110 012, India)  V.1-    1963-
   Volume(issue)/page/year: 18,876,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 5 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- ,  Berdy, J., Boca
   Raton, FL, CRC Press, 1980-  Volume(issue)/page/year: 8(1),73,1982

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 500 umol/L
REFERENCE :
   JOBAAY Journal of Bacteriology.  (American Soc. for Microbiology, 1913 I
   St., NW, Washington, DC 20006)  V.1-    1916-  Volume(issue)/page/year:
   164,1309,1985

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 ug/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 124,25,1983

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 300 mg/kg
SEX/DURATION            : female 30 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Fertility - mating performance (e.g. # sperm positive females
   per # females mated; # copulations per # estrus cycles)
REFERENCE :
   IJMRAQ Indian Journal of Medical Research.  (Indian Council of Medical
   Research, Ansari Nagar, New Delhi 110 029, India)  V.1-    1913-
   Volume(issue)/page/year: 65,829,1977

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 100 mg/kg
SEX/DURATION            : female 10 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - ovaries, fallopian tubes
REFERENCE :
   PLMEAA Planta Medica.  (Georg Thieme Verlag, Postfach 732, D-7000 Stuttgart
   1, Fed. Rep. Ger.) V.1-    1953-  Volume(issue)/page/year: 39,244,1980

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 150 mg/kg
SEX/DURATION            : female 15 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - parturition
REFERENCE :
   IJMRAQ Indian Journal of Medical Research.  (Indian Council of Medical
   Research, Ansari Nagar, New Delhi 110 029, India)  V.1-    1913-
   Volume(issue)/page/year: 65,829,1977

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 50 mg/kg
SEX/DURATION            : female 1-5 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - pre-implantation mortality (e.g. reduction in
   number of implants per female; total number of implants per corpora lute

系列性分类


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