CAS 1622-61-3 MFCD00057746-Clonazepam 氯硝西泮 TAO{mole}

Clonazepam 氯硝西泮

CAS 1622-61-3 MFCD00057746

化学结构图

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

化学属性

Mol. Formula	C15H10ClN3O3
Mol. Weight	315.73
Flash Point	11 °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 Point	236.5-238.50C

别名和识别编码

Chemical Name	Clonazepam
CAS Number	1622-61-3
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 Number	MFCD00057746
PubChem Substance ID	2802
EC Number	216-596-2
Chemical Name Translation	氯硝西泮
Wiswesser Line Notation	T67 GMV JN IHJ CNW KR BG
Beilstein Registry Number	0759557
InChI	InChI=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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产品应用

Antiepileptic agent with anxiolytic and antimanic properties. Anticonvulsant.

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
H370 Causes damage to organs 导致器官损伤

Precautionary statements

P301+P310
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。
P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
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。

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