CAS 443-48-1 MFCD00009750-2-(2-Methyl-5-nitro-1-imidazolyl)ethanol 2-甲基-5-硝基咪唑-1-乙醇 -LabNovo

2-(2-Methyl-5-nitro-1-imidazolyl)ethanol 2-甲基-5-硝基咪唑-1-乙醇

CAS 443-48-1 MFCD00009750

化学结构图

SMILES: Cc1ncc([N+](=O)[O-])n1CCO

化学属性

Mol. Formula	C6H9N3O3
Mol. Weight	171.15
Density	1.45
Melting Point	159-161°C
Solubility	<0.1 G/100 ML AT 20 ºC
TSCA	No
Appearance	crystalline
Boiling Point	405.4°C at 760 mmHg

别名和识别编码

Chemical Name	2-(2-Methyl-5-nitro-1-imidazolyl)ethanol
CAS Number	443-48-1
Synonym	Metronidazole {LY} Metronidazole {} {LY} Metronidazole {} {} {LY} Metronidazole {} {} {} {LY} Metronidazole {} {} {} {} {LY} Metronidazole {} {} {} {} {} {LY} Metronidazole {} {} {} {} {} {} {LY} Metronidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Metronidazole {} {} {} {} {} {} {} {} {LY} Metronidazole {} {} {} {} {} {} {} {} {} {LY} Metronidazole {} {} {} {} {} {} {} {} {} {} {LY} Metronidazole {} {} {} {} {} {} {} {} {} {} {} {LY} Metronidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Metronidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Metronidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Metronidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Metronidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Metronidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL Number	MFCD00009750
EC Number	207-136-1
Beilstein Registry Number	611683
PubChem Substance ID	87572910
Reaxys-RN	611683
Merck Number	6157
Chemical Name Translation	2-甲基-5-硝基咪唑-1-乙醇
Wiswesser Line Notation	T5N CNJ A2Q B1 ENW
LabNetwork Molecule ID	LN00196219
InChI	InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
Canonical SMILES	OCCN1C([N+]([O-])=O)=CN=C1C

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分类

{SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Antibacterial, Antibiotics, Antibiotics A to Z, Antibiotics G-M, Antibiotics by Application, Antineoplastic and Immunosuppressive Antibiotics, Antiparasitic / Antiprotozoal / Anthelminthic, Biochemicals and Reagents, Chemical Structure Class, Imidazoles, Interferes with DNA Synthesis, L - Z, M, METI - MZ, Mechanism of Action, Spectrum of Activity, 分析/色谱
{SNA} Antibacterial, A
{SNA} Antibacterial, Antibiotics A to Z, Antibiotics G-M, Antibiotics by Application, Antineoplastic and Immunosuppressive Antibiotics,

产品应用

Used as an antibacterial in the treatment of rosacea. Antiprotozoal (trichomonas). A potential human carcinogen.

安全信息

Signal word Warning

GHS Symbol

WGK Germany3

Safety Statements

S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
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）；
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；

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
R45 May cause cancer 可能致癌
R46 May cause inheritable genetic damage 可能引起遗传基因损害

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。
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。
P281 Use personal protective equipment as required. 使用所需的个人防护装备。
P308+P313
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

RTECSNI5600000

Hazard statements

H303 May be harmfully swallowed 吞食可能有害
H351 Suspected of causing cancer 怀疑致癌

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Hazard Codes Xn Xn,T

Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light 99%室温保存。分析标准品2-8℃保存 {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 181 gm/kg/72W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Blood - lymphoma, including Hodgkin's disease
REFERENCE :
   JNCIAM Journal of the National Cancer Instit

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3 gm/kg/14W-C
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   TUMOAB Tumori.  (Casa Editrice Amb

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 219 gm/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - tumors
   Skin and Appendages - tumors
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 63,863,1979

TYPE OF TEST            : T

TYPE OF TEST            : TD - Toxic dose (othe

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1680 mg/kg
                          female 1-21 day(s) after conception
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Reproductive - Tumorigenic effects - transplacental tumorigenesis
   Lungs, Thorax, or Respiration - tumors
REFERENCE :
   JCROD7 Journal of Cancer Research and Clinical Oncology.  (Springer-Verlag
   New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094)  V.93-
   1979-  Volume(issue)/page/year: 112,135,1986

TYPE OF TEST            :

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE/DURATION           : 40 mg/kg
TOXIC EFFECTS :
   Behavioral - hallucinations, distorted perceptions
REFERENCE :
   SMJOAV Southern Medical Journal.  (Southern Medical Assoc., POB 2446,
   Birmingham, AL 35205) V.1-    1908-  Volume(issue)/page/year: 78,627,1985

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3640 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - tremor
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 8,1089,1974

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE/DURATION           : 12 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - effect, not otherwise specified
   Behavioral - tremor
REFERENCE :
   BMJOAE British Medical Journal.  (British Medical Assoc., BMA House,
   Tavistock Sq., London WC1H 9JR, UK)  V.1-    1857- Volume(issue)/page/year:
   292,174,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3800 mg/kg
TOXIC EFFECTS :
   Biochemical - Enzyme inhibition, induction, or change in blood or tissue
   levels - other oxidoreductases
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 20

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 200 ug/disc
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 97,1,1982

TYPE OF TEST            : Phage inhibition capacity
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 500 ug/plate
REFERENCE :
   AMPOAX Acta Microbiologica Polonica.  (Ars Polona, POB 1001, 00-068 Warsaw
   1, Poland)  V.1-17(4), 1952-68; V.25-    1976-  Volume(issue)/page/year:
   34,111,1985

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Microorganism - not otherwise specified
DOSE/DURATION           : 5 mg/L
REFERENCE :
   BCPCA6 Biochemical Pharmacology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.1-    1958-  Volume(issue)/page/year:
   23,1421,1974

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 3 mmol/L
REFERENCE :
   SinJF# Personal Communication from J.F. Sina, Merck Institute for
   Therapeutic Research, West Point, PA 19486, Oct. 26, 1982
   Volume(issue)/page/year: 26OCT1982

TYPE OF TEST            : Body fluid assay
TEST SYSTEM             : Human Bacteria - Salmonella typhimurium
DOSE/DURATION           : 10 mg/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 77,357,1980

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Microorganism - not otherwise specified
DOSE/DURATION           : 1 mg/L
REFERENCE :
   BCPCA6 Biochemical Pharmacology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.1-    1958-  Volume(issue)/page/year:
   23,1421,1974

{hazard_com

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 22400 mg/kg
SEX/DURATION            : male 56 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
   Reproductive - Paternal Effects - testes, epididymis, sperm duct
REFERENCE :
   FAATDF Fundamental and Applied Toxicology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1981-  Volume(issue)/page/year:
   12,386,1989

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 60 mg/kg
SEX/DURATION            : female 8-14 day(s) afte

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 750 mg/kg
SEX/DURATION            : female 30 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - uterus, cervix, vagina
REFERENCE :
   RPHRA6 Recent Progress In Hormone Research.  Proceedings of the Laurentian
   Hormone Conference. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802)
    V.1-    1947-  Volume(issue)/page/year: 20,395,1964

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 16800 mg/kg
SEX/DURATION            : male 42 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Fertility - male fertility index (e.g. # males impregnating
   females per # males exposed to fertile nonpregnant females)
REFERENCE :
   FAATDF Fundamental and Applied Toxicology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1981-  Volume(issue)/page/year:
   12,386,1989

其他信息

稳定性:Stable. Incompatible with strong oxidizing agents.
毒害物质数据:443-48-1(Hazardous Substances Data)
MOL 文件:443-48-1.mol
RTECS号:NI5600000
F:8
EPA化学物质信息:1H-Imidazole-1-ethanol, 2-methyl-5-nitro-(443-48-1)
硝基咪唑类抗生素:甲硝唑是一种硝基咪唑类抗生素，又叫灭滴灵、甲硝哒唑、甲硝基羟乙唑、灭滴唑，对厌氧微生物有杀灭作用，它在人体中还原时生成的代谢物也具有抗厌氧菌作用，抑制细菌的脱氧核糖核酸的合成，从而干扰细菌的生长、繁殖，最终致细菌死亡，抗厌氧菌普包括：脆弱拟杆菌、梭形杆菌（由于菌体形态两端尖锐呈梭形而得名）、破伤风杆菌、消化球菌、消化链球菌、贾第鞭毛虫菌。最初被用于治疗阴道滴虫病，临床效果非常显著。后来人们发现，甲硝唑也可以杀灭引起口腔感染的厌氧菌，1978年被世界卫生组织将其确定为抗厌氧菌感染的特效药物，广泛应用于预防和治疗口腔厌氧菌感染。在医院本品也经常被用于预防和治疗因厌氧菌引起的呼吸道，消化道，腹腔及盆腔感染，皮肤软组织及骨关节感染，心膜炎，败血症和脑的治疗。甲硝唑对体内组织及肠腔内的阿米巴病的疗效显著，也是人体治疗虫病的首选药物，作用机理是通过抑制阿米巴原虫的氧化还原反应，使原虫氮链发生断裂而起作用。体外试验证明，药物浓度为1~2mg/L时，溶组织阿米巴于6 ~20小时即可发生形态改变，24小时内全部被杀灭，浓度为0.2mg/L的，72小时内可杀死溶组织阿米巴，目前已经广泛用于治疗肠道和肠外阿米巴病（如阿米巴肝脓肿、胸膜阿米巴病等）。由于硝基咪唑类抗生素和乙醇、尼古丁等有相互作用，干扰乙醇的氧化过程，能引起双硫仑反应，导致心率较快、血压降低等症状，所以患者服药期间，应避免接触含酒精的饮品，少抽烟，以避免药物不良反应的发生。
图谱信息:甲硝唑(443-48-1)红外图谱(IR1) 甲硝唑(443-48-1)核磁图( 1 HNMR) 甲硝唑(443-48-1)红外图谱(IR2) 甲硝唑(443-48-1)核磁图( 13 CNMR) 甲硝唑(443-48-1)质谱(MS)
溶于热水，略溶于乙醇，微溶于水或氯仿，极微溶于乙醇。味苦而略咸。
NIST化学物质信息:Metronidazole(443-48-1)
生产方法:由2-甲基-5-硝基咪唑（见25010）与环氧乙烷加成而得。将2-甲基-5-硝基咪唑溶解于甲酸中，在30-40℃逐次加入环氧乙烷，并在加料中间加硫酸。加毕，反应1h。减压回收甲酸，加水溶解后冷却至10℃，过滤。滤液用氢氧化钠溶液调至pH=10，放置冷却，过滤，水洗至近中改建。用水重结晶。活性炭脱色，即得甲硝唑。
甲硝唑价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 M0924 2-甲基-5-硝基咪唑-1-乙醇 2-Methyl-5-nitroimidazole-1-ethanol 25G 495元 2014/06/02 M0924 2-甲基-5-硝基咪唑-1-乙醇 2-Methyl-5-nitroimidazole-1-ethanol 500G 4310元 2010/06/21 BTB09707EE 甲硝唑 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethan-1-ol 50 GR 915元
用途:用于治疗阿米巴病、滴虫病及厌氧菌感染

2-(2-Methyl-5-nitro-1-imidazolyl)ethanol 2-甲基-5-硝基咪唑-1-乙醇

CAS 443-48-1 MFCD00009750

化学结构图

化学属性

别名和识别编码

分类

产品应用

相关文献及参考

安全信息

其他信息

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