Isoniazid 异烟酰肼

CAS 54-85-3 MFCD00006426

化学结构图

54-85-3
SMILES: NNC(=O)c1ccncc1

化学属性

Mol. FormulaC6H7N3O
Mol. Weight137.14
Melting Point171-173°C
TSCAYes
Solubility14 G/100 ML (25 ºC)
Density1.244
Stability空气敏感
Flash Point>250°C
Appearance 白色或类白色结晶性粉末、无臭,味微甜后苦,遇光渐变质。 Mp171.4℃。 1%水溶液pH5.5-6.5,溶液在pH4-5稳定,在中性或碱性溶液中易分解,光、热、氧加速分解。本品易溶于水(1:10)、溶于乙醇(1:50)、难溶于乙醚。动物实验证明,有致癌阳性报道。
Boiling Point251.97 °C at 760 mmHg

别名和识别编码

Chemical NameIsoniazid
CAS Number54-85-3
Synonym Isoniazid {LY} Isoniazid Isonicotinic Acid Hydrazide Isonicotinic Acid Vanillylidenehydrazide Phthivazide Tubazide Vanillylidenehydrazide, Isonicotinic Acid phthivazid {} {LY} Isoniazid {} {} {LY} Isoniazid {} {} {} {LY} Isoniazid {} {} {} {} {LY} Isoniazid {} {} {} {} {} {LY} Isoniazid {} {} {} {} {} {} {LY} Isoniazid {} {} {} {} {} {} {} {LY} Isoniazid {} {} {} {} {} {} {} {} {LY} Isoniazid {} {} {} {} {} {} {} {} {} {LY} Isoniazid {} {} {} {} {} {} {} {} {} {} {LY} Isoniazid {} {} {} {} {} {} {} {} {} {} {} {LY} Isoniazid {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isoniazid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isoniazid {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isoniazid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isoniazid {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00006426
Beilstein Registry Number119374
EC Number200-214-6
PubChem Substance ID3767
Merck Number5186
Reaxys-RN119374
Chemical Name Translation异烟酰肼
Wiswesser Line NotationT6NJ DVMZ
LabNetwork Molecule IDLN00221458
InChIInChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)
Canonical SMILESO=C(C1=CC=NC=C1)NN
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分类

  • {SNA} A - K, Analytical Standards, Antibacterial, Antibiotics Standards, Antimycobacterial, Application Index, Cell Signaling Enzymes, Chemical Structure Class, Drug and Xenobiotic Metabolism, Multi-Drug Resistance and Drug Metabolism, Pharmaceuticals, Illicit Drugs & Alcohol, Pyridines and Pyrimidines, Spectrum of Activity, Substrates, Substrates, Inducers, Inhibitors, Wavelength Index, Xenobiotics and Drug Metabolism, 分析/色谱, 发光化合物及其检测, 抗生素, 生化试剂, 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 - K,
  • {SNA} Analytical Standards,
  • {SNA} A - K,

产品应用

  • 生化研究。高效液相色谱荧光检定∆4(4上标)-3甾酮类。制药工业。

相关文献及参考

  • Short: III/20a
  • Brewer, G.A., et al.: Anal. Profiles Drug Subs., 6, 183 (1977),
  • Merck:14,5186
  • Short: EINECS
  • Short: III/5a
  • Merck:14,5186 Beilstein:22(1)504

安全信息

WGK Germany3
RTECSNS1751850
GHS Symbol
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • 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;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S37 Wear suitable gloves 戴适当手套;
  • 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
  • R22 Harmful if swallowed 吞咽有害
  • R38 Irritating to skin 刺激皮肤
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light Air Sensitive {} {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 from
Hazard Codes Xn
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。
  • P203
  • 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。
  • 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。
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P301+P312
  • P301+P312+P330
  • P301+P317
  • P302+P352
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P307+P311
  • P308+P311
  • P308+P313
  • P308+P316
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医,如果你觉得不舒服
  • P318
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • 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
  • P362+P364
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Packing GroupIII
UN Number 2811
TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 15 gm/kg/30W-C
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
REFERENCE :
   GANNA2 Gann.  Japanese Journal of Cancer Research.  (Tokyo, Japan)  V.1-75,
   1907-84.  For publisher information, see JJCREP.  Volume(issue)/page/year:
   51,83,1960

{haz

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 9 gm/kg/17W-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Liver - tumors
REFERENCE :
   IJCNAW International Journal of Cancer.  (International Union Against
   Cancer, 3 rue

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1892 mg/kg
                          multigenerations
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: 105,258,1983

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1892 mg/kg
                          multigenerations
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Reproductive - Tumorigenic effects - transplacental tumorigenesis
   Lungs, Thorax, or Respiration - tumors
REFERENCE :
   JCROD7 Journal of Cancer Resear

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intracerebral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >12 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - ataxia
REFERENCE :
   SZTPA5 Schweizerische Zeitschrift fuer Tuberkulose und Pneumonologie.
   (Basel, Switzerland)  V.1-18, 1944-61.  Volume(issue)/page/year: 9,226,1952

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intramuscular
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 255 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - ataxia
REFERENCE :
   SZTPA5 Schweizerische Zeitschrift fuer Tuberkulose und Pneumonologie.
   (Basel, Switzerland)  V.1-18, 1944-61.  Volume(issue)/page/year: 9,226,1952

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1250 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-    1951-
   Volume(issue)/page/year: 26,409,1976

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 335 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - ataxia
REFERENCE :
   SZTPA5 Schweizerische Zeitschrift fuer Tuberkulose und Pneumonologie.
   (Basel, Switzerland)  V.1-18, 1944-61.  Volume(issue)/page/year: 9,226,1952

TYPE OF TEST

{hazard_co

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 1 mg/plate
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 5,391,1984

TYPE OF TEST            : Gene conversion and mitotic recombination
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 25 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 91,215,1981

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Microorganism - not otherwise specified
DOSE/DURATION           : 7 mg/plate
REFERENCE :
   BIZNAT Biologisches Zentralblatt.  (VEB Georg Thieme, Postfach 946, Leipzig
   DDR-7010, Ger. Dem. Rep.) V.1-    1881-  Volume(issue)/page/year:
   95,4

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 1 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 68,351,1979

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Microorganism - not otherwise specified
DOSE/DURATION           : 156 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Vo

TYPE OF TEST            : Body fluid assay
TEST SYSTEM             : Rodent - rat Bacteria - Salmonella typhimurium
DOSE/DURATION           : 90 mg/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 56,289,1978

{

TYPE OF TEST            :

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 40 mg/kg
SEX/DURATION            : female 7-14 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured
   before birth)
REFERENCE :
   DPHFAK Dissertationes Pharmaceuticae et Pharmacologicae.  (Warsaw, Poland)
   V.18-2

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 160 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 - Fertility - litter size (e.g. # fetuses per litter; measured
   before birth)
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   GJMSA7 Gunma Journal of Medical Sciences.  (Maebashi, Japan)  V.1-17,
   1952-69.  Discontinued.  Volume(issue)/page/year: 14,233,1965

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 27900 ug/kg
SEX/DURATION            : female 6-14 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - Central Nervous System
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   DPHFAK Dissertationes Pharmaceuticae et Pharmacologicae.  (Warsaw, Poland)
   V.18-24, 1966-72.  For publisher information, see PJPPAA.
   Volume(issue)/page/year: 23,383,1971

其他信息

  • 用途四:该品用作高效、低毒、价廉的抗结核病首选药物,也用作电镀添加剂和制药的中间体。导烟肼与甲醛亚硫酸氢钠缩合可制得异烟肼甲烷磺酸[13447-95-5]。与甲醛缩合成双异烟肼。这一缩合反应较溶易进行,将甲醛加入异烟肼水溶液,在65℃左右反应半小时即可。异烟肼与香草酸的缩合也在水溶液中进行,反应温度是95℃左右,生成异烟腙。这些异烟肼衍生物都是抗结核药物。异烟肼类以异烟肼的作用最好,异烟腙对结核菌的作用较异烟肼弱,但对神经系统及肝脏的毒性较异烟肼轻。
  • 图谱信息:异烟肼(54-85-3)Raman光谱 异烟肼(54-85-3)核磁图( 1 HNMR) 异烟肼(54-85-3)质谱(MS) 异烟肼(54-85-3)红外图谱(IR2) 异烟肼(54-85-3)核磁图( 13 CNMR) 异烟肼(54-85-3)红外图谱(IR1)
  • 方法二:由异烟酸与水合肼缩合而得。将异烟酸溶解于水合肼中,加入上批粗制母液,减压蒸馏至79-82℃(13.3-14.7kPa)为止。升温至129-130℃,反应3h。加入反应液一半量的母液稀释,加活性炭脱色,过滤。滤液冷却结晶,在10℃左右过滤,滤饼用粗制母液洗涤,得异烟肼粗品。然后经重结晶、活性炭脱色、过滤,干燥得成品。收率90%。
  • 海关编码:29333999
  • 用途一:主要用于各型肺结核,也可用于结核性脑膜炎和其他肺外结核等。常需和其他抗结核病药联用。
  • TCI Shanghai:异烟肼 Isonicotinic Acid Hydrazide,>;98.0%(LC)(T)(54-85-3)
  • Alfa Aesar:异烟肼,98+% Isonicotinic acid hydrazide, 98+%(54-85-3)
  • 异烟肼价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 K5898001 异烟肼;异烟酰肼;雷米风;利抓哉;γ-吡啶甲酰肼 100g 356元 2011/08/23 KI337702 异烟肼;异烟酰肼;雷米风;利抓哉;γ-吡啶甲酰肼 50g 216元 2011/08/23 K5898002 异烟酰肼 500g 1167元
  • Acros Organics:异烟酸肼 Isonicotinic acid hydrazide, 99%(54-85-3)
  • 上游原料:高锰酸钾 --> 4-甲基吡啶 --> 异烟酸
  • 用途三:生化研究,临床作为抗结核药物。
  • 用途二:抗结核药,用于各种结核病
  • 下游产品:4-异氰酸酯吡啶
  • Sigma Aldrich:54-85-3(sigmaaldrich)
  • 方法一:4-甲基吡啶经高锰酸钾氧化后,再与水合肼缩合制得。
  • 无气味。味微甜而后苦。遇光渐变质。溶解度:25℃水约14%,40℃水约26%(水溶液呈中性),25℃乙醇约2%,沸乙醇约10%,氯仿约0.1%。几乎不溶于苯和乙醚。半数致死量(小鼠,腹腔)151mg/kg.
  • 敏感性:Air Sensitive
  • 参考质量标准:mp170-173℃,酸碱度合格,检测澄清度试验、重金属、干燥失重和灼烧残渣等杂质含量。
  • MOL 文件:54-85-3.mol
  • MSDS 信息:INAH(54-85-3).msds
  • 用途五:生化研究。高效液相色谱荧光检定∆4(4上标)-3甾酮类。制药工业。

系列性分类


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