Primaquine diphosphate 磷酸伯安喹

CAS 63-45-6 MFCD00013166

化学结构图

63-45-6
SMILES: COc1cc(NC(C)CCCN)c2ncccc2c1.O=P(O)(O)O.O=P(O)(O)O

化学属性

Mol. FormulaC15H27N3O9P2
Mol. Weight455
Density1.422
Melting Point205-206 °C (dec.)(lit.)
SolubilityMODERATELY 可溶
Appearance 橙红色结晶体粉末，熔点 ; 199-205°C，水溶性 ; moderately soluble

别名和识别编码

Chemical NamePrimaquine diphosphate
CAS Number63-45-6
Synonym 1,4-Pentanediamine, N(sup 4)-(6-methoxy-8-quinolinyl)-, phosphate (1:2) 8-((4-amino-1-methylbutyl)amino)-6-methoxy-quinolin phosphate 8-(4-AMINO-1-METHYLBUTYLAMINO)-6-METHOXYQUINOLINE DIPHOSPHATE 8-(4-氨基-1-甲基丁氨基)-6-甲氧基喹啉 二磷酸盐 8-(4-氨基-1-甲基丁氨基)-6-甲氧基喹啉 二磷酸盐 伯氨喹 二磷酸盐 Diphosphate, Primaquine N-(6-Methoxyquinolin-8-yl)pentane-1,4-diamine phosphoric acid PRIMAQUINE PHOSPHATE Phosphate, Primaquine Primachin Primacin Primaquine Primaquine Diphosphate Primaquine Phosphate Primaquine Phosphate CP2000 Primaquine diphosphate 二磷酸普奈马奎 伯氨喹 二磷酸盐 磷酸伯安喹 磷酸伯氨喹啉
EC Number200-560-8
Beilstein Registry Number3812133
MDL NumberMFCD00013166
PubChem Substance ID6135
Chemical Name Translation磷酸伯安喹
Merck Number13,7833
Wiswesser Line NotationT66 BNJ HO1 JMY1&3Z &..H3.P-O4 2
LabNetwork Molecule IDLN00221888
InChIInChI=1S/C15H21N3O.2H3O4P/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;2*1-5(2,3)4/h4,6,8-11,18H,3,5,7,16H2,1-2H3;2*(H3,1,2,3,4)
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分类

  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, EP Standards, EP Standards P - R, Pharmaceutical Standards,
  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, Pharmaceutical Standards, Pharmacopeia Standards,
  • {SNA} Analytical Standards, Chromatography, Pharmaceutical Standards, Pharmacopeia Standards, USP Standards, USP Standards P - R, 分析/色谱
  • Heterocycles
  • {SNA} Analytical Standards, Chromatography, EP Standards, EP Standards P - R, Pharmaceutical Standards, Pharmacopeia Standards, 分析/色谱
  • {SNA} Building Blocks,

产品应用

  • Antimalarial.

相关文献及参考

  • Marrs, T., et al.: Toxicol Lett., 36, 281

安全信息

Signal word
GHS Symbol
WGK Germany3
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）；
  • 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；
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
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
  • 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
  • H301 Toxic if swallowed 吞食有毒
RTECSVA9660000
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes T
UN Number UN 2811 6.1/PG 3
Packing GroupIII
Hazard Class6.1(b) 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 68 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TRSTAZ Transactions of the Royal Society of Tropical Medicine and Hygiene.
   (Royal Soc. of Tropical Medicine and Hygiene, Manson House, 26 Portland Pl.,
   London W1N 4EY, UK)  V.14-    1920-  Volume(issue)/page/year: 74,43,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 105 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 20,1775,1970

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Bird - domestic
DOSE/DURATION           : 19300 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 20,1775,1970

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 177 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 32,1728,1989

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Microorganism - not otherwise specified
DOSE/DURATION           : 5 mg/L
REFERENCE :
   AMACCQ Antimicrobial Agents and Chemotherapy.  (American Soc. for
   Microbiology, 1913 I St., NW, Washington, DC 20006)  V.1-    1972-
   Volume(issue)/page/year: 1,259,1972

TYPE OF TEST            : DNA adduct
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 50 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 89,95,1981

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 200 ug/plate
REFERENCE :
   TOLED5 Toxicology Letters.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1977-  Volume(issue)/page/year: 36,281,1987

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 480 mg/kg
SEX/DURATION            : female 6-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Maternal Effects - other effects
REFERENCE :
   TOXID9 Toxicologist.  (Soc. of Toxicology, Inc., 475 Wolf Ledge Parkway,
   Akron, OH 44311) V.1-    1981-  Volume(issue)/page/year: 3,65,1983

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 540 mg/kg
SEX/DURATION            : female 8-16 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   TRSTAZ Transactions of the Royal Society of Tropical Medicine and Hygiene.
   (Royal Soc. of Tropical Medicine and Hygiene, Manson House, 26 Portland Pl.,
   London W1N 4EY, UK)  V.14-    1920-  Volume(issue)/page/year: 74,43,1980

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 600 mg/kg
SEX/DURATION            : female 8-13 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - craniofacial
   (including nose and tongue)
REFERENCE :
   TRSTAZ Transactions of the Royal Society of Tropical Medicine and Hygiene.
   (Royal Soc. of Tropical Medicine and Hygiene, Manson House, 26 Portland Pl.,
   London W1N 4EY, UK)  V.14-    1920-  Volume(issue)/page/year: 74,43,1980

其他信息

  • 储运特性:库房通风低温干燥
  • 毒性分级:高毒
  • 急性毒性:口服-大鼠LD50: 177 毫克/公斤; 口服-小鼠LD50: 68 毫克/公斤
  • Sigma Aldrich:63-45-6(sigmaaldrich)
  • F:10
  • 磷酸伯安喹价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 170870010 磷酸伯安喹 Primaquine diphosphate 98% 1 GR 315元 2010/06/21 170870100 磷酸伯安喹 Primaquine diphosphate 98% 10 GR 1736元
  • 图谱信息:磷酸伯安喹(63-45-6)质谱(MS) 磷酸伯安喹(63-45-6)红外图谱(IR1) 磷酸伯安喹(63-45-6)红外图谱(IR2)
  • Acros Organics:磷酸伯氨喹 Primaquine diphosphate, 98%(63-45-6)
  • 用途一:抗疟药，用于控制间日疟与三日疟的复发和恶性疟的传播。
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • 类别:有毒物品
  • MOL 文件:63-45-6.mol
  • 可燃性危险特性:可燃;燃烧产生有毒氮氧化物和硫氧化物烟雾
  • MSDS 信息:8-(4-Amino-1-methylbutylamino)-6-methoxyquinoline diphosphate(63-45-6).msds

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Quinolines 喹啉
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Quinolines 喹啉
  5. C11 to C30 - Quinolines
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Phosphorus Compounds 磷化合物
  5. Phosphonates/Phosphinates - Phosphorus Compounds
  1. Functional Group 官能团索引
  2. phosphoric acid

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