CAS 5987-82-6 MFCD00012512-Benoxinate Hydrochloride 2-(二乙氨基)乙基4-氨基-3-丁氧基苯甲酸酯盐酸盐 TAO{mole}

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

SMILES: CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N.Cl

化学属性

Mol. Formula	C17 H28 N2 O3 . Cl H
Mol. Weight	344.88
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）。
Solubility	DMSO 69 mg/mL Water 69 mg/mL Ethanol 69 mg/mL
Melting Point	159-160°C
Boiling Point
Flash Point	-

别名和识别编码

Chemical Name	2-(Diethylamino)Ethyl 4-Amino-3-Butoxybenzoate Hydrochloride
EC Number	227-808-8
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number	5987-82-6
MDL Number	-
PubChem Substance ID	6420040
Chemical Name Translation	2-(二乙氨基)乙基4-氨基-3-丁氧基苯甲酸酯盐酸盐
Merck Number	13,1045
Wiswesser Line Notation	4OR BZ EVO2N2&2 &GH
LabNetwork Molecule ID	LN00202137
InChI	InChI=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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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 +4°C 2-8°C 4 4°C, Inert atmosphere 4℃ 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