CAS 51803-78-2 MFCD00079470-Nimesulide 尼美舒利 TAO{mole}

Nimesulide 尼美舒利

CAS 51803-78-2 MFCD00079470

化学结构图

SMILES: CS(=O)(=O)NC1=CC=C(C=C1OC1C=CC=CC=1)[N+]([O-])=O

化学属性

Mol. Formula	C13H12N2O5S
Mol. Weight	308.31
TSCA	No
Melting Point	148.0 to 152.0 deg-C
Appearance	从乙醇得淡褐色结晶，熔点143～144.5℃。急性毒性LD 50 大鼠(mg/kg)：324口服。

别名和识别编码

Chemical Name	Nimesulide
Synonym	4-NITRO-2-PHENOXYMETHANE SULPHONANILIDE 4-Nitro-2-phenoxy-methanesulfonanilide 4-Nitro-2-phenoxymethanesulfonamide 4-nitro-2-phenoxy-methanesulfonanilide 4-硝基-2-苯氧基甲烷磺酰苯胺 4’-nitro-2’-phenoxy-methanesulfonanilid AULIN Aulin CETIRIZINE DIHYDROCHLORIDE EPC(CRM STANDARD) CETIRIZINE DIHYDROCHLORIDE IMP. E (EP):(RS)-2-[2-[2-[4-[(4-CHLOROPHENYL)-PHENYLMETHYL]PIPERAZIN-1-YL]ETHOXY]ETHOXY]ACETIC ACID MM(CRM STANDARD) CETIRIZINE DIHYDROCHLORIDE MM(CRM STANDARD) FANSIDOL Flogovital MESULID Mesulid Methanesulfonamide, N-(4-nitro-2-phenoxyphenyl)- N-(4-NITRO-2-PHENOXY)METHANESULFONANILIDE N-(4-NITRO-2-PHENOXYPHENYL)METHANESULFONAMIDE N-(4-Nitro-2-phenoxyphenyl)methanesulfonamide N-(4-硝基-2-苯氧基)甲基磺酰胺 N-(4-硝基-2-苯氧基苯基)甲基磺酰胺 N-(4-硝基-2-苯氧基苯基)甲磺酰胺 NIMESULIDE Nide Nidol Nimed Nimesulide Nisuli R-805 Sulidene flogovital n-(4-nitro-2-phenoxyphenyl)-methanesulfonamid nimed 二盐酸西替利嗪尼美舒利
MDL Number	MFCD00079470
PubChem Substance ID	253662461
EC Number	257-431-4
CAS Number	51803-78-2
Merck Number	6548
Chemical Name Translation	尼美舒利
Wiswesser Line Notation	WS1&MR BOR& DNW
Beilstein Registry Number	2421175
Reaxys-RN	2421175

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分类

{SNA} A to C, Application Index, Arachidonic Acid Cascade, Bioactive Small Molecule Alphabetical Index, Cell Signaling Enzymes, Cyclooxygenase, Cyclooxygenase (COX) Enzymes, Cyclooxygenase Inhibitors, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, Lipids in Cell Signaling, N, 生化试剂, 生物活性小分子, 细胞信号转导和神经科学, 细胞生物学, 酶、抑制剂和底物
{SNA} A to C, Application Index, Arachidonic Acid Cascade, Bioactive Small Molecules, Biochemicals and Reagents, Cell Biology, Cell Signaling Enzymes, Cell Signaling and Neuroscience,

安全信息

WGK Germany3

GHS Symbol

Precautionary statements

P201 Obtain special instructions before use. 使用前获取专门指示。
P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
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+P310
P301+P310+P330
P308+P313
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Hazard statements

H301 Toxic if swallowed 吞食有毒

RTECSPB0970000

Signal word Danger

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Safety Statements

S36 Wear suitable protective clothing 穿戴适当的防护服；
S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
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）；
S20 When using do not eat or drink 使用时，不得进食，饮水；

Packing GroupIII

UN Number 2811 UN 2811 6.1/PG 3 UN2811

Risk Statements

R22 Harmful if swallowed 吞咽有害
R25 Toxic if swallowed 吞咽有毒

Hazard Codes Xn

Storage condition 0-10°C 2-8°C

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 392 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   YAKUD5 Gekkan Yakuji.  Pharmaceuticals Monthly.  (Yakugyo Jihosha, Inaoka
   Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan)  V.1-   1959-
   Volume(issue)/page/year: 17,1254,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FEPRA7 Federation Proceedings, Federation of American Societies for
   Experimental Biology. (Bethesda, MD)  V.1-46, 1942-87.
   Volume(issue)/page/year: 34,759,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 163 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   YAKUD5 Gekkan Yakuji.  Pharmaceuticals Monthly.  (Yakugyo Jihosha, Inaoka
   Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan)  V.1-   1959-
   Volume(issue)/page/year: 17,1254,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 216 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   YAKUD5 Gekkan Yakuji.  Pharmaceuticals Monthly.  (Yakugyo Jihosha, Inaoka
   Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan)  V.1-   1959-
   Volume(issue)/page/year: 17,1254,1975

Hazard Class6.1

其他信息

用途三:为非甾体抗炎药,具有抗炎、镇痛、解热作用，可用于慢性关节炎症（如类风湿性关节炎和骨关节炎等）；手术和急性创伤后的疼痛和炎症；耳鼻咽部炎症引起的疼痛；痛经；上呼吸道感染引起的发热等症状的治疗。
MSDS 信息:Nimesulide(51803-78-2).msds
Sigma Aldrich:51803-78-2(sigmaaldrich)
用途二:非甾体消炎药，用于类风湿性关节炎、骨关节炎、呼吸道疾病、耳鼻喉科疾病、软组织及口腔炎症、静脉炎/血栓形成、外伤后炎症、泌尿生殖系统疾病等的发烧、疼痛和炎症。
方法一:溴化苯经硝化生成邻硝基溴化苯，和苯酚钠进行亲核取代反应，生成二苯醚衍生物，经Raney镍催化氢化还原硝基为氨基，用甲磺酰氯于85℃及有机碱存在下进行磺酰化，最后硝化即得到尼美舒利。最后的硝化反应可如下进行。17.3g(0．675m01)磺酰化产物溶于175ml热冰乙酸中，搅拌下，在15min内滴加5。92g(0.0675mo1)70%硝酸。在蒸汽浴上加热4h后，倾入水中。过滤析出的沉淀，用乙醇重结晶，得淡褐色的尼美舒利，熔点143-144.5℃。
MOL 文件:51803-78-2.mol
上游原料:乙醇 --> 二氯甲烷 --> 乙酸 --> 溴苯 --> 甲基磺酰氯 --> 二苯醚 --> 有机碱
用途一:用作解热镇痛药