5-Chloro-2(3H)-benzoxazolone 5-氯-2-苯并噁唑啉酮

CAS 95-25-0 MFCD00005717

化学结构图

95-25-0
SMILES: O=c1[nH]c2cc(Cl)ccc2o1

化学属性

Mol. FormulaC7H4ClNO2
Mol. Weight170
Melting Point191-192
TSCAYes
SolubilityDMSO 34 mg/mL Water <1 mg/mL Ethanol 34 mg/mL

别名和识别编码

Chemical Name5-Chloro-2(3H)-benzoxazolone
CAS Number95-25-0
Alfabeta NameCHLOROBENZOXAZOLONE H51323()-----,
MDL NumberMFCD00005717
Synonym 2(3H)-Benzoxazolone, 5-chloro- 2-Hydroxy-5-chlorobenzoxazole 5-Chlorbenzoxazolin-2-on 5-Chloro-2(3H)-benzoxazolone; 5-Chloro-2-benzoxazolone 5-Chloro-2-benzoxazolinone 5-Chloro-2-benzoxazolol 5-Chlorobenzoxazolidone 5-chloro-2(3h)-benzoxazolone 5-chloro-2-benzoxazolinon 5-氯-2-(3H)-苯并恶唑酮 5-氯-2-羟基苯并恶唑 5-氯-2-苯并噁唑啉酮 5-氯-2-苯并恶唑啉酮 5-氯苯骈恶唑酮 Biomioran CLORZOXAZONE Chlorzoxazone Mioran Neoflex TIMTEC-BB SBB003864
EC Number202-403-9
Merck Number14,2194
PubChem Substance ID87560135
Reaxys-RN6355
Chemical Name Translation5-氯-2-苯并噁唑啉酮
Beilstein Registry Number6355
Wiswesser Line NotationT56 BMVOJ HG
InChIInChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
LabNetwork Molecule IDLN00163906
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分类

  • {SNA} Application Index, Approved Therapeutics/Drug Candidates, Bioactive Small Molecules, Biochemicals and Reagents, C-CH, Cell Biology, Cell Signaling Enzymes, Cell Signaling and Neuroscience, Enzymes, Inhibitors, and Substrates, Ion Channels, Johnson & Johnson, Monovalent Ion Channels, Potassium Channel Modulators, Substrates, Voltage-gated Ion Channels, Xenobiotics and Drug Metabolism
  • {SNA} Application Index, Approved Therapeutics/Drug Candidates, Bioactive Small Molecules, Biochemicals and Reagents, C-CH, Cell Signaling Enzymes, Cell Signaling and Neuroscience, Enzymes, Inhibitors, and Substra

相关文献及参考

  • [1]. Yamamura Y, et al. Comprehensive kinetic analysis and influence of reaction components for chlorzoxazone 6-hydroxylation in human liver microsomes with CYP antibodies. Xenobiotica. 2015 Apr;45(4):353-360.

安全信息

Warnings IRRITANT
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
  • 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;
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
GHS Symbol
WGK Germany3
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。
  • 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。
  • 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+P330
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
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
RTECSDM5250000
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn,T,Xi Xn Xi
Storage condition 储存温度-20°C
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 440 mg/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.)  V.1-

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : 166 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - muscle weakness
   Behavioral - ataxia
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 129,75,1960

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 150 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - muscle weakness
   Behavioral - ataxia
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 129,75,1960

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : 662 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - muscle weakness
   Behavioral - ataxia
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Balt

其他信息

  • Sigma Aldrich:95-25-0(sigmaaldrich)
  • 用途一:医药中间体。
  • Hazard Note:Toxic/Irritant
  • 骨骼肌松弛剂:氯唑沙宗是一种口服有效的中枢性骨骼肌松弛剂,化学结构与所有其他的肌肉松弛药完全不同,主要通过作用于脊髓和大脑皮层下中枢,抑制致肌肉痉挛有关的多突触反射而产生肌松作用,缓解痉挛所致疼痛并增加受累肌肉的灵活性。对乙酰氨基酚为非甾体类解热镇痛药,可能主要通过抑制前列腺素的合成而产生镇痛、解热作用。小鼠攀网法肌松作用研究表明,复方氯唑沙宗呈明显剂量依赖性肌松作用,对士的宁诱发的小鼠惊厥有良好的保护作用,复方氯唑沙宗片中对乙酰氨基酚的存在可使氯唑沙宗的作用增强。热板法镇痛试验表明复方氯唑沙宗有明显的镇痛作用,并呈剂量依赖性,对酒石酸锑钾所致小鼠疼痛性扭体反应也有明显的拮抗作用,且显示良好的剂量效应关系,试验结果显示对乙酰氨基酚和氯唑沙宗有镇痛协同作用。 以上信息由Chemicalbook的晓楠编辑整理。
  • 不良反应:偶见轻度嗜睡、头晕、恶心、心悸、无力、上腹痛等反应,遇过敏反应应停药,上述不良反应一般较轻微,可自行消失或停药后缓解。
  • Acros Organics:氯唑沙宗 Chloroxazone, 98%(95-25-0)
  • MSDS 信息:5-Chloro-2(3H)-benzoxazolone(95-25-0).msds
  • Chlorzoxazone
  • 氯唑沙宗合成方法:以2,5-二氯硝基苯为原料,经水解、还原反应后得2-氨基-4-氯苯酚,继而在盐酸中环合反应,即得氯唑沙宗,总收率84%。
  • 储运特性:库房低温通风干燥; 与食品原料分开存放
  • TCI Shanghai:氯唑沙宗 Chlorzoxazone,>;98.0%(GC)(T)(95-25-0)
  • 类别:有毒物质
  • MOL 文件:95-25-0.mol
  • Alfa Aesar:5-氯-2-苯并唑酮,99% 5-Chloro-2(3H)-benzoxazolone, 99%(95-25-0)
  • 急性毒性:口服-大鼠 LD50: 763 毫克/公斤; 口服-小鼠 LD50: 440 毫克/公斤
  • 灭火剂:水,二氧化碳, 泡沫, 干粉
  • 可燃性危险特性:热分解排出有毒氮氧化物, 氯化物烟雾
  • 毒性分级:高毒
  • 上游原料:4-氯苯酚 --> 4-氯-2-硝基苯酚
  • 氯唑沙宗价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C2237 氯唑沙宗 Chlorzoxazone 25G 493元 2014/06/02 C2237 氯唑沙宗 Chlorzoxazone 250G 2610元 2010/06/21 228950250 氯唑沙宗 Chloroxazone 98% 25 GR 682元
  • 适应症/功能主治:氯唑沙宗适用于各种急性、慢性软组织(肌肉、韧带、筋膜)扭伤、挫伤、运动后肌肉酸痛,肌肉劳损所引起的疼痛,由中枢神经病变引起的肌肉痉挛,以及慢性筋膜炎等。
  • 药代动力学:本品经消化道吸收完全,1.5-2小时血药浓度达到峰值,分布于肌肉、肾、肝、脑和脂肪,至6小时药物浓度明显降低,本品在体内几乎全部分解代谢。消除半衰期约1小时。
  • 药物相互作用:本品与酚噻嗪类、巴比妥酸类衍生物等中枢抑制药及单胺氧化酶抑制药合用时,应减少本品用量。
  • 图谱信息:氯唑沙宗(95-25-0)红外图谱(IR1) 氯唑沙宗(95-25-0)红外图谱(IR2) 氯唑沙宗(95-25-0)核磁图( 13 CNMR) 氯唑沙宗(95-25-0)质谱(MS) 氯唑沙宗(95-25-0)核磁图( 1 HNMR)

系列性分类


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