Benoxinate Hydrochloride 2-(二乙氨基)乙基4-氨基-3-丁氧基苯甲酸酯盐酸盐

CAS 5987-82-6 MFCD00012512

化学结构图

5987-82-6
SMILES: CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N.Cl

化学属性

Mol. FormulaC₁₇H₂₉ClN₂O₃
Mol. Weight344.88
Appearance 结晶体，熔点155℃（U.S.P.XVI，1960），也有报道为157-160℃。易溶于水、D氯仿，溶于乙醇，不溶于乙醚，水溶液的pH为4.5-5.2。丁氧普鲁卡因碱基（[99-43-3]）的沸点为215-218℃（0.267千帕）。
SolubilityDMSO 69 mg/mL Water 69 mg/mL Ethanol 69 mg/mL
Melting Point159-160°C
Boiling Point
Flash Point-

别名和识别编码

Chemical Name2-(Diethylamino)Ethyl 4-Amino-3-Butoxybenzoate Hydrochloride
EC Number227-808-8
Synonym 2-(DIETHYLAMINO)ETHYL 4-AMINO-3-BUTOXYBENZOATE HYDROCHLORIDE 4-氨基-2-丁氧基苯甲酸2-(二乙氨基)乙酯盐酸盐 4-氨基-3-丁氧基苯甲酸 2-(二乙基氨基)乙基酯盐酸盐 4-氨基-3-丁氧基苯甲酸二乙基氨基乙基酯 Oxybuprocaine hydrochloride 丁氧卡因 盐酸盐 BENOXINATE HCL BENOXINATE HYDROCHLORIDE BENOXINATE USP HYDROCHLORIDE BENZOIC ACID, 4-AMINO-3-BUTOXY-, 2-(DIETHYLAMINO)ETHYL ESTER, MONOHYDROCHLORIDE Benoxinate Hydrochloride {} {} {} {PubChem} oxybuprocaine {} {} {} {} {PubChem} diethylaminoethyl-4-amino-3-butoxybenzoate {} {} {} {} {} {} {} {} {} {} {PubChem} butoxyprocaine {} {} {} {} {} {} {PubChem} benoxinate monohydrochloride {} {} {} {} {} {} {} {PubChem} benoxinate hydrochloride {} {} {} {} {} {} {} {} {PubChem} benoxinate dihydrochloride {} {} {} {} {} {} {} {} {} {PubChem} benoxinate {} {} {} {} {} {} {} {} {} {} {PubChem} Novesin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number5987-82-6
MDL Number-
PubChem Substance ID6420040
Chemical Name Translation2-(二乙氨基)乙基4-氨基-3-丁氧基苯甲酸酯盐酸盐
Merck Number13,1045
Wiswesser Line Notation4OR BZ EVO2N2&2 &GH
LabNetwork Molecule IDLN00202137
InChIInChI=1S/C17H28N2O3.ClH/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3;/h8-9,13H,4-7,10-12,18H2,1-3H3;1H
Canonical SMILES-
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分类

  • {SNA} Pharmacopoeia, Pharmacopoeia A-Z, 分析/色谱
  • {SNA} Pharmacopoeia, Pharmacopoeia A-Z

安全信息

Hazard Codes Xi
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 Wear suitable protective clothing 穿戴适当的防护服；
  • 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
WGK Germany3
GHS Symbol
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+P312
  • 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。
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P322 Specific measures (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
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
RTECSDG1502900
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Storage condition +4 2-8°C 4 4°C, Inert atmosphere 储存温度 2-8°C 储存温度-20°C 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 5600 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.

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 60 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,154,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 4200 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drug

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 42500 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,154,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 21 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: -,232,1990

其他信息

  • MOL 文件:5987-82-6.mol
  • 用途一:局部麻醉药。
  • Sigma Aldrich:5987-82-6(sigmaaldrich)
  • 方法一:将3-氧-4-硝基苯甲酸与乙醇酯化得到的乙酯，与丁基溴反应，获得丁氧基硝基苯甲酸乙酯，加苛性碱皂化，生成3-丁氧基-4-硝基苯甲酸。然后，将其与亚硫酰氯反应得到酰基氯中间体，再与二乙氨基乙醇酯化，得到3-丁氧基-4-硝基苯甲酸二乙氨基乙酯，经还原成盐即制成盐酸丁氧普鲁卡因。
  • 奥布卡因 盐酸盐
  • Oxybuprocaine HCl是一种局部麻醉剂，尤其在眼科与耳鼻咽喉科使用
  • 上游原料:氢氧化钠 --> 氧氯化硫 --> 溴丁烷 --> 对硝基苯甲酸 --> 二乙氨基乙醇 --> 苯甲酸乙酯

系列性分类

  1. Application Areas 应用领域分类
  2. Drug Discovery 新药研发
  3. Pharmacopoeia 药典
  4. Pharmacopoeia A-Z - Pharmacopoeia
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. B - Alphabetic
  5. BA - BH - B

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