Clonazepam 氯硝西泮

CAS 1622-61-3 MFCD00057746

化学结构图

1622-61-3
SMILES: O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1

化学属性

Mol. FormulaC15H10ClN3O3
Mol. Weight315.73
Flash Point11 °C
Appearance 类白色结晶性粉末。熔点236.5-238.5。溶于水,易溶于甲醇、乙醚、苯。 powder
Melting Point236.5-238.50C

别名和识别编码

Chemical NameClonazepam
CAS Number1622-61-3
Synonym 1,3-Dihydro-7-nitro-5-(2-chlorophenyl)-2H-1,4.benzodiazepin-2-one 2H-1,4-Benzodiazepin-2-one, 5-(2-chlorophenyl)-1,3-dihydro-7-nitro- 2H-1,4-Benzodiazepin-2-one, 5-(o-chlorophenyl)-1,3-dihydro-7-nitro- 5-(2-Chlorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one 5-(2-Chlorophenyl)-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one 5-(2-chlorophenyl)-1,3-dihydro-7-nitro-2h-4-benzodiazepin-2-one 5-(2-氯苯基)-1,3-二氢-7-硝基-2H-1,4-苯并二氮杂卓-2-酮 5-(o-Chlorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one 5-(o-Chlorophenyl)-7-nitro-1H-1,4-benzodiazepin-2(3H)-one 5-(o-chlorophenyl)-1,3-dihydro-7-nitro-2-h-4-benzodiazepin-2-one 5-(o-chlorophenyl)-1,3-dihydro-7-nitro-2h-4-benzodiazepin-2-one 5-(o-chlorophenyl)-7-nitro-1h-1,4-benzodiazepin-2(3h)-one 5-(邻氯苯基)-1,3-二氢-7-硝基-2H-1,4-苯并二氮杂草-2-酮 {PubCh
MDL NumberMFCD00057746
PubChem Substance ID2802
EC Number216-596-2
Chemical Name Translation氯硝西泮
Wiswesser Line NotationT67 GMV JN IHJ CNW KR BG
Beilstein Registry Number0759557
InChIInChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
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分类

  • Amines
  • Aromatics
  • Heterocycles
  • Pharmaceuticals
  • Intermediates & Fine Chemicals,
  • {SNA} Approved Therapeutics/Drug Candidates, Benzodiazepines and Anxiolytics, Bioactive Small Molecules, CI-CY, Cell Biology, Cell Signaling and Neuroscience, Neurobiology, Neuroscience, Pharmacologicals, Roche

产品应用

  • Antiepileptic agent with anxiolytic and antimanic properties. Anticonvulsant.

相关文献及参考

  • Blum, et al.: Arzneim.-Forsch., 23, 377 (1973),

安全信息

RTECSDF2100000
WGK Germany2
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
GHS Symbol
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H301 Toxic if swallowed 吞食有毒
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H331 Toxic if inhaled 吸入中毒
  • H336 May cause drowsiness or dizziness 肯能导致嗜睡或头晕
  • H360 May damage fertility or the unborn child 可能对生育能力或未出生婴儿造成伤害
  • H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
  • H362 May cause harm to breast-fed children 可能对母乳喂养的婴儿造成伤害
  • H370 Causes damage to organs 导致器官损伤
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
  • H413 Maycauselonglastingharmfuleffectstoaquaticlife 可能对水生生物造成长期持续有害影响。
Precautionary statements
  • P203
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P263 Avoid contact during pregnancy/while nursing. 怀孕/哺乳期间避免接触。
  • 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。
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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+P310
  • P304+P340
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P318
  • P319
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Safety Statements
  • S7 Keep container tightly closed 保存在严格密闭容器中;
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • S22 Do not breathe dust 不要吸入粉尘;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
Packing GroupIII
Hazard Codes F,T
Hazard Class6.1(b)
Storage condition 2-8°C
UN Number UN 1230 3/PG 2
Risk Statements
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有毒
  • R39/23/24/25 Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed 毒性:吸入,皮肤接触和吞食都会产生十分严重的不可逆危险
  • R11 Highly flammable 非常易燃
Restrict {} 精神药品 精麻类化学品
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 14200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENC

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >10 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 14200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   IYKEDH Iyakuhin Kenkyu.  Study of Medical Supplies.  (Nippon Koteisho
   Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan)  V.1- 1970- 
   Volume(issue)/page/year: 11,811,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 13300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   IYKEDH Iyakuhin Kenkyu.  Study of Medical Supplies.  (Nippon Koteisho
   Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan)  V.1- 1970- 
   Volume(issue)/page/year: 11,811,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >18 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   IYKEDH Iyakuhin Kenkyu.  Study of Medical Supplies.  (Nippon Koteisho
   Kyokai,

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1750 ug/kg
SEX/DURATION            : female 14-20 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - biochemical and metabolic
REFERENCE :
   LIFSAK Life Sciences.  (Pergamon Press Inc., Maxwell House, Fairview Park,
   Elmsford, NY 10523) V.1-8, 1962-69; V.14-    1974- Volume(issue)/page/year:
   44,493,1989

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 24 mg/kg
SEX/DURATION            : female 6-13 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   YACHDS Yakuri to Chiryo.  Pharmacology and Therapeutics.  (Raifu Saiensu
   Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan)  V.1-    1972-
   Volume(issue)/page/year: 5,2457,1977

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 3300 ug/kg
SEX/DURATION            : female 6-16 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - Central Nervous System
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   40,365,1977

其他信息

  • Sigma Aldrich:1622-61-3(sigmaaldrich)
  • color:light yellow
  • 方法一:2-氨基-2'硝基二苯酮用亚硝酸钠重氮化、氯化亚铜置换得到2-氯-2'-硝基二苯酮,催化加氢得2-氨基-2'-氯二苯酮,与溴乙酰溴反应生成2-溴-2'(2-氯苯甲酰)乙酰苯胺,将其与吡啶一起回流24h,生成5-(2-氯苯基)-3H-1,4-苯并二氮杂草-2(1H)-酮,最后硝化为氯硝安定。
  • MOL 文件:1622-61-3.mol
  • 用途二:抗惊厥药。抗惊厥作用比地西泮或硝西泮约强5倍。适用于控制和型癫痫,对失神小发作,婴儿痉挛、肌阵挛性和运动不能性发作疗效较好。
  • 用途一:为广谱抗癫痫药
  • 上游原料:氯化亚铜 --> 二苯甲酮 --> 邻氯苯甲酰氯 --> 2-苯甲酰乙酰苯胺 --> 溴乙酰溴

系列性分类


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