Raubasine hydrochloride

CAS 4373-34-6 MFCD00278831

化学结构图

4373-34-6
SMILES: COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12.Cl

化学属性

Mol. FormulaC21H24N2O3.ClH
Mol. Weight388.93
Melting Point275-300 °C

别名和识别编码

Chemical NameAjmalicine, hydrochloride
Synonym δ-Yohimbine hydrochloride Raubasine hydrochloride 19-epiajmalicine Ajmalicine, monohydrochloride Lamuran Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, ajmalicine ajmalicine hydrochloride ajmalicine, (19alpha,20alpha)-isomer ajmalicine, (19beta)-isomer ajmalicine, (19beta,20alpha)-isomer ajmalicine, (3-beta,19beta)-isomer ajmalicine, (3beta,19alpha)-isomer ajmalicine, (3beta,19alpha,20alpha)-isomer ajmalicine, (hydrochloride(19beta,20alpha))-isomer ajmalicine, PO4(19alpha)-isomer ajmalicine, hydrochloride(19alpha)-isomer akuammigine delta-yohimbine raubasine raubasine HCl raubasine hydrochloride rauvasan tetrahydro-alstonine tetrahydroalstonine
MDL NumberMFCD00278831
Beilstein Registry Number5416191
EC Number224-471-9
Wiswesser Line NotationT F6 D5 C666 EM ON SO TU&&TTTJ R1 UVO1 &GH
CAS Number4373-34-6
LabNetwork Molecule IDLN04672913
PubChem Substance ID168978
InChIInChI=1S/C21H24N2O3.ClH/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2;/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3;1H/t12-,15-,16+,19-;/m0./s1
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安全信息

RTECSAX7890000
WGK Germany3 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   LDBU** "Zur Pharmakologie der Yohimbealkaloide, Dissertation," Langer, J.,
   Institute fuer Pharmakologie und Experimentelle Therapie der Universitat
   Breslau, Poland, 1932  Volume(issue)/page/year: -,-,1932

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#00444

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
Precautionary statements
  • 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。
  • P264+P265
  • 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。
  • 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
  • P301+P317
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • 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。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....

系列性分类

  1. Functional Group 官能团索引
  2. enol ether

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