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


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