Brucine 马钱子碱

CAS 357-57-3 MFCD00005942

化学结构图

357-57-3
SMILES: COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43

化学属性

Mol. FormulaC23H26N2O4
Mol. Weight394.46
Melting Point175-178 °C (dec.)(lit.)
TSCAYes
Appearance 无色粉末，难溶于水，不溶于乙醇、乙醚、微溶于苯、氯仿，熔点 175-178℃，比旋光度 -118

别名和识别编码

Chemical NameBrucine
CAS Number357-57-3
Synonym (-)-BRUCINE (-)-Brucine (-)-番木鳖碱 10,11-DIMETHOXYSTRYCHNINE 10,11-Dimethoxystrychin 10,11-Dimethoxystrychnin 10,11-Dimethoxystrychnine 10,11-Dimethystrychnine 10,11-dimethoxystrychnine 10,11-二甲氧基马钱子碱 10,11-二甲氧番本鼊鹼 2,3-DIMETHOXYSTRYCHNIDIN-10-ONE 2,3-Dimethoxy-strychnin 2,3-Dimethoxy-strychnine 2,3-Dimethoxystrychnidin-10-on 2,3-Dimethoxystrychnidin-10-one 2,3-Dimethoxystrychnidine-10-one 2,3-Dimethoxystrychnine 2,3-dimethoxy-strychnidin-10-on 2,3-dimethoxy-strychnin BRUCINE BRUCINE ALKALOID BRUCINE TETRAHYDRATE Brucin Brucin wasserfrei Brucin, wasserfrei Brucina Brucine alk
EC Number206-614-7
Beilstein Registry Number63046
MDL NumberMFCD00005942
PubChem Substance ID442021
Merck Number14,1455
Chemical Name Translation马钱子碱
Wiswesser Line NotationT6 G656 B7 C6 E5 D 5ABCEF A& FX MNV QO VN SUAH&&TTTTTJ IO1 JO1
InChIInChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1
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分类

  • {uni_hamburg} no charge; oxygen heterocycle; nitrogen heterocycle; carbocycle; aromatic; alicycle; large ring; fused rings; 5ring; 6ring; 7ring; 8ring; 9ring; 10ring; 11ring; 12ring; 13ring; 14ring; 15ring; 16ring; 17ring; 18ring; 19ring; 21ring; 22ring; spiro; amide; lactame; ether; 1fragment
  • {SNA} Asymmetric Synthesis, Chemical Synthesis, Chiral Building Blocks, Chiral Resolution Reagents, Chiral Resolving Reagents, Complex Molecules
  • Miscellaneous Reagents

相关文献及参考

  • 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: IV/18B Title: Viscosity of Pure Organic Liquids and Binary Liquid Mixtures: Pure Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/18B Year: 2001 Keyword: organic compounds; viscosity; liquids; mixtures Internet Resource: DOI:10.1007/b68240 RefComment: VII, 409 pages.
  • 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
Hazard statements
  • H300 Fatal if swallowed 吞食致命
  • H330 Fatal if inhaled 吸入致命
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
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
RTECSEH8925000
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。
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P301+P310
  • P304+P340
  • P305+P351+P338
  • P309+P311
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/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）。
  • P330 Rinse mouth. 漱口
  • P337+P313
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Hazard Codes T+
Safety Statements
  • S13 Keep away from food, drink and animal foodstuffs 远离食品、饮料和动物饲料保存；
  • 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）；
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
Risk Statements
  • R26/28 Very toxic by inhalation and if swallowed 吸入及吞食都有剧毒
  • R52/53
UN Number UN1570 UN 1570 6.1/PG 1 1570
Packing GroupI
Hazard Class6.1(a)
Storage condition Store at RT
Restrict 剧毒化学品
Warnings 危化品目录(2015) 危险化学品 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 120 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB214-270

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 150 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   JOETD7 Journal of Ethnopharmacology.  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1979-  Volume(issue)/page/year:
   35,295,1992

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : R

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 60 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   APSXAS Acta Pharmaceutica Suecica.  (Apotekarsocieteten-Farmacevtiska
   Foereningen, Box 1136, S-111, 81 Stockholm, Sweden)  V.1-    1964-
   Volume(issue)/page/year: 7,329,1970

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Bird - pigeon
DOSE/DURATION           : 58 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig,
   Ger. Dem. Rep.)  Volume(issue)/page/year: 4,1289,1935

TYPE

其他信息

  • 毒性分级:剧毒
  • Acros Organics:马钱子碱 Brucine,anhydrous,99%(357-57-3)
  • 储运特性:库房通风低温干燥; 与食品分开储运
  • 图谱信息:10,11-二甲氧基马钱子碱(357-57-3)核磁图( 13 CNMR) 10,11-二甲氧基马钱子碱(357-57-3)红外图谱(IR2) 10,11-二甲氧基马钱子碱(357-57-3)核磁图( 1 HNMR) 10,11-二甲氧基马钱子碱(357-57-3)红外图谱(IR1)
  • 比旋光度:-118 ° (c=2.5 in chloroform)
  • Sigma Aldrich:357-57-3(sigmaaldrich)
  • 10,11-二甲氧基马钱子碱价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80022382 马钱子碱（剧毒） 10g 600元 2010/06/21 278725000 10,11-二甲氧基马钱子碱 Brucine 99%, anhydrous 500 GR 11664元 2010/06/21 278721000 10,11-二甲氧基马钱子碱 Brucine 99%, anhydrous 100 GR 3361元
  • 急性毒性:口服-大鼠 LD50: 1 毫克/公斤; 口服-小鼠 LD50: 150 毫克/公斤
  • 可燃性危险特性:不易燃; 燃烧产生有毒氧化氮气体
  • MOL 文件:357-57-3.mol
  • 灭火剂:水, 泡沫, 二氧化碳, 砂土
  • 下游产品:(-)-文斯内酯 --> ?-2-氨基-3-巯基-3-甲基丁羧酸
  • 类别:有毒物品

系列性分类

  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Resolution Reagents - Asymmetric Synthesis
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Resolution Reagents - Asymmetric Synthesis
  4. Chiral Resolving Reagents - Chiral Resolution Reagents
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Optical Resolution
  1. Life Science 生命科学
  2. Biochemistry / Glyco-Chemistry
  3. Alkaloids
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Biochemicals Found in Plants
  4. Aliphatic Compounds 脂肪烃化合物
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Nutrition Research
  4. Biochemicals Found in Plants
  5. Aliphatic Compounds 脂肪烃化合物

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