3505-38-2

• 常用中文名：马来酸卡比沙明
• 常用英文名：Carbinoxamine maleate salt
• CAS号：3505-38-2
• 分子式：C₂₀H₂₃ClN₂O₅
• 分子量：406.86000
• 相关类别： 原料药 抗变态反应药 抗组胺药
• 发布时间：2018-10-02 17:57:43
• 更新时间：2024-01-01 20:50:56
• Carbinoxamine maleate salt 是组胺 H1 受体 (histamine H1 receptor) 的拮抗剂。

名称

• 中文名: 马来酸罗托沙敏
• 英文名: carbinoxamine maleate
• 中文别名: 卡比沙明马来酸盐; N-[2-[(4-氯苯基)(2-吡啶基)甲氧基]乙基]-N,N-二甲基胺马来酸盐; 马来酸卡比沙明
• 英文别名: Carbinoxamine maleate salt; CarbinoxamineMaleateSalt; MFCD00082461; (Z)-but-2-enedioic acid,2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine; Carbinoxamine Maleate; EINECS 222-498-0

物化性质

• 沸点: 381.1ºC at 760 mmHg
• 熔点: 116-118ºC
• 分子式: C₂₀H₂₃ClN₂O₅
• 分子量: 406.86000
• 闪点: 184.3ºC
• 精确质量: 406.13000
• PSA: 99.96000
• LogP: 3.11440
• 外观性状: 灰白色固体
• 储存条件: 库房通风低温干燥,与食品原料分开储运
• 水溶解性: 水溶性：完全溶解；易溶于：醇,氯仿；极微溶：乙醚
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:7

  4.可旋转化学键数量:8

  5.互变异构体数量:无

  6.拓扑分子极性表面积:100

  7.重原子数量:28

  8.表面电荷:0

  9.复杂度:386

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:1

  13.确定化学键立构中心数量:1

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:2

生物活性

• 描述: Carbinoxamine maleate salt 是组胺 H1 受体 (histamine H1 receptor) 的拮抗剂。
• 相关类别:
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 组胺受体
  信号通路 >> 免疫及炎症 >> 组胺受体
  研究领域 >> 神经疾病
• 靶点:

  histamine H1 receptor[1]

• 参考文献:

  [1]. Harikrishnan A, et al. The cooperative effect of Lewis pairs in the Friedel-Crafts hydroxyalkylation reaction: a simple and effective route for the synthesis of (±)-carbinoxamine. Org Biomol Chem. 2015 Mar 28;13(12):3633-47.

MSDS

Section 1. Chemical Product and Company Identification Carbinoxamine, Maleate Salt Common Name/ Trade Name Carbinoxamine, Maleate Salt Section 3. Hazards Identification Potential Acute Health Effects Hazardous in case of ingestion. Slightly hazardous in case of skin contact (irritant), of eye contact (irritant), of inhalation (lung irritant). Severe over-exposure can result in death. Potential Chronic HealthCARCINOGENIC EFFECTS: Not available. EffectsMUTAGENIC EFFECTS: Not available. TERATOGENIC EFFECTS: Not available. DEVELOPMENTAL TOXICITY: Not available. The substance may be toxic to central nervous system (CNS). Repeated or prolonged exposure to the substance can produce target organs damage. Repeated exposure to a highly toxic material may produce general deterioration of health by an accumulation in one or many human organs. Section 4. First Aid Measures Eye ContactCheck for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Cold water may be used. Get medical attention. Skin ContactIn case of contact, immediately flush skin with plenty of water. Cover the irritated skin with an emollient. Remove contaminated clothing and shoes. Cold water may be used.Wash clothing before reuse. Thoroughly clean shoes before reuse. Get medical attention. Serious Skin ContactNot available. InhalationIf inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical attention. Serious InhalationNot available. IngestionIf swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Loosen tight clothing such as a collar, tie, belt or waistband. Get medical attention immediately. Serious IngestionNot available. Section 5. Fire and Explosion Data Flammability of the Product May be combustible at high temperature. Auto-Ignition Temperature Not available. Flash PointsNot available. Flammable LimitsNot available. Products of CombustionThese products are carbon oxides (CO, CO2), nitrogen oxides (NO, NO2...), halogenated compounds. Fire Hazards in Presence of Slightly flammable to flammable in presence of heat. Various Substances Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available. of Various SubstancesSlightly explosive in presence of open flames and sparks. Fire Fighting MediaSMALL FIRE: Use DRY chemical powder. and InstructionsLARGE FIRE: Use water spray, fog or foam. Do not use water jet. Special Remarks onAs with most organic solids, fire is possible at elevated temperatures Fire Hazards Special Remarks on Explosion Fine dust dispersed in air in sufficient concentrations, and in the presence of an ignition source is a potential dust Hazardsexplosion hazard. Carbinoxamine, Maleate Salt Section 6. Accidental Release Measures Small SpillUse appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by spreading water on the contaminated surface and dispose of according to local and regional authority requirements. Large SpillPoisonous solid. Stop leak if without risk. Do not get water inside container. Do not touch spilled material. Use water spray to reduce vapors. Prevent entry into sewers, basements or confined areas; dike if needed. Eliminate all ignition allow to evacuate through the sanitary system. Section 7. Handling and Storage PrecautionsKeep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not ingest. Do not breathe dust. Wear suitable protective clothing. If ingested, seek medical advice immediately and show the container or the label. StorageKeep container tightly closed. Keep container in a cool, well-ventilated area. Section 8. Exposure Controls/Personal Protection Engineering ControlsUse process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants below the exposure limit. Personal Protection Safety glasses. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. Gloves. Personal Protection in Case of Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used a Large Spillto avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this product. Exposure LimitsNot available. Section 9. Physical and Chemical Properties Physical state and appearance Solid. (Crystalline powder.)Odorless. Odor TasteNot available. Molecular Weight406.9 g/mole ColorWhite. pH (1% soln/water)Not available. Boiling PointNot available. Melting PointNot available. Critical TemperatureNot available. Not available. Specific Gravity Vapor PressureNot applicable. Not available. Vapor Density VolatilityNot available. Not available. Odor Threshold Water/Oil Dist. Coeff.Not available. Ionicity (in Water)Not available. Dispersion PropertiesSee solubility in water. SolubilityEasily soluble in cold water. Carbinoxamine, Maleate Salt Section 10. Stability and Reactivity Data The product is stable. Stability Instability TemperatureNot available. Excess heat Conditions of Instability Not available. Incompatibility with various substances CorrosivityNot available. Special Remarks onNot available. Reactivity Special Remarks onNot available. Corrosivity PolymerizationWill not occur. Section 11. Toxicological Information Routes of EntryInhalation. Ingestion. Toxicity to AnimalsAcute oral toxicity (LD50): 162 mg/kg [Mouse]. Chronic Effects on Humans May cause damage to the following organs: central nervous system (CNS). Other Toxic Effects onHazardous in case of ingestion. HumansSlightly hazardous in case of skin contact (irritant), of inhalation (lung irritant). Special Remarks onNot available. Toxicity to Animals Special Remarks onNot available. Chronic Effects on Humans Special Remarks on otherAcute Potential Health Effects: Toxic Effects on HumansSkin: It may cause skin irritation. Eyes: It may cause eye irritation. Inhalation: It may cause respiratory tract irritation, shortness of breath/trouble breathing. Ingestion: Harmful if swallowed. May cause dryness of the mouth, nose, throat. flushiness or redness of face. May affect behavior/central nervous system (hallucinations, distorted perceptions, excitement, drowsiness, clumsiness, unsteadiness), respiration (shortness of breath/trouble breathing). Chronic Potential Health Effects: Possible hypersensitization/allergic anaphylactic reaction to dust if inhaled, ingested or in contact with skin. Section 12. Ecological Information Not available. Ecotoxicity Not available. BOD5 and COD Products of BiodegradationPossibly hazardous short term degradation products are not likely. However, long term degradation products may arise. Toxicity of the ProductsThe products of degradation are as toxic as the product itself. of Biodegradation Special Remarks on theNot available. Products of Biodegradation Carbinoxamine, Maleate Salt Section 13. Disposal Considerations Waste DisposalWaste must be disposed of in accordance with federal, state and local environmental control regulations. Section 14. Transport Information DOT ClassificationNot a DOT controlled material (United States). Not applicable. Identification Not applicable. Special Provisions for Transport DOT (Pictograms) Section 15. Other Regulatory Information and Pictograms TSCA 8(b) inventory: Carbinoxamine, Maleate Salt Federal and State Regulations CaliforniaCalifornia prop. 65: This product contains the following ingredients for which the State of California has found to cause cancer which would require a warning under the statute: No products were found. Proposition 65 Warnings California prop. 65: This product contains the following ingredients for which the State of California has found to cause birth defects which would require a warning under the statute: No products were found. Other RegulationsOSHA: Hazardous by definition of Hazard Communication Standard (29 CFR 1910.1200). EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances. WHMIS (Canada) Not available Other Classifications DSCL (EEC)R22- Harmful if swallowed.S26- In case of contact with eyes, rinse R36/37/38- Irritating to eyes,immediately with plenty of water and seek respiratory system and skin.medical advice. S36/37- Wear suitable protective clothing and gloves. S46- If swallowed, seek medical advice immediately and show this container or label. Health Hazard HMIS (U.S.A.)2 National Fire Protection 1 Flammability 1 Association (U.S.A.) Fire Hazard 2 0 Reactivity Health Reactivity 0 Specific hazard Personal Protection E WHMIS (Canada) (Pictograms) DSCL (Europe) (Pictograms) Carbinoxamine, Maleate Salt TDG (Canada) (Pictograms) ADR (Europe) (Pictograms) Protective Equipment Gloves. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : US6350000 CAS REGISTRY NUMBER : 3505-38-2 LAST UPDATED : 199701 DATA ITEMS CITED : 10 MOLECULAR FORMULA : C16-H19-Cl-N2-O.C4-H4-O4 MOLECULAR WEIGHT : 406.90 WISWESSER LINE NOTATION : QV1U1VQ -C &621 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - child DOSE/DURATION : 1880 ug/kg/4D-I TOXIC EFFECTS : Behavioral - hallucinations, distorted perceptions Behavioral - excitement REFERENCE : JTCTDW Journal of Toxicology, Clinical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.19- 1982- Volume(issue)/page/year: 25,161,1987 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 162 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada) TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 150 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. (Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143, Japan) V.1- 1954- Volume(issue)/page/year: 15,367,1968 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 350 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. (Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143, Japan) V.1- 1954- Volume(issue)/page/year: 15,367,1968 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 32 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada) TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 36 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada) TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 411 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada) TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 120 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : APFRAD Annales Pharmaceutiques Francaises. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1943- Volume(issue)/page/year: 20,463,1962 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 81760 No. of Facilities: 805 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 805 (estimated)

安全

• 符号: GHS06
• 信号词: Danger
• 危害声明: H301-H315-H319-H335
• 警示性声明: P261-P301 + P310-P305 + P351 + P338
• 个人防护装备: Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
• 危害码 (欧洲): T: Toxic;
• 风险声明 (欧洲): R25
• 安全声明 (欧洲): 26-36/37/39-45
• 危险品运输编码: UN 3249
• RTECS号: US6350000
• 包装等级: III
• 危险类别: 6.1(b)
• 海关编码: 2933399090

海关

海关编码	2933399090
中文概述	2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%