5-Chlorobenzo[D]Oxazol-2(3H)-One 5-氯苯并[d]恶唑-2(3H)-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-Chlorobenzo[D]Oxazol-2(3H)-One
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-氯苯并[d]恶唑-2(3H)-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

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. C-CH - Bioactive Small Molecules
  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Cell Signaling and Neuroscience - Cell Biology
  4. Ion Channels - Cell Signaling and Neuroscience
  5. Voltage-gated Ion Channels - Ion Channels
  6. Monovalent Ion Channels - Voltage-gated Ion Channels
  7. Potassium Channel Modulators - Monovalent Ion Channels
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Cell Signaling and Neuroscience
  4. Neuroscience
  5. Ion Channels
  6. Ligand-Gated Ion Channels
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Cell Signaling Enzymes
  5. Xenobiotics and Drug Metabolism
  6. Inhibitors
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Cell Signaling and Neuroscience
  4. Ion Channels
  5. Voltage-gated Ion Channels
  6. Monovalent Ion Channels
  7. Ionophores
  1. Medical Research Areas
  2. Metabolism
  3. Cytochrome P450  (细胞色素P450)

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