13422-51-0

• 常用中文名：羟钴胺
• 常用英文名：Hydroxocobalamin
• CAS号：13422-51-0
• 分子式：C₆₂H₈₉CoN₁₃O₁₅P
• 分子量：1346.36
• 相关类别： 分析化学 标准品 药典标准品和杂志标准品
• 发布时间：2018-03-09 08:00:00
• 更新时间：2024-01-01 21:33:28
• Hydroxocobalamin (Vitamin B12a) 是一种可注射的天然维生素 B12,具有良好的不良反应特征,可作为维生素 B12 缺乏症 (包括恶性贫血) 的膳食补充剂。

名称

• 中文名: 羟钴胺
• 英文名: hydroxocobalamin
• 中文别名: 维生素 B12b
• 英文别名: Hydroxocobalamin; Vitamin B12a acetate; EINECS 236-533-2; hydroxycobalamin; ohb12; vitamin B12a; duradoce; cobalex; docevita; MFCD00082532; docclan; hydroxycobalamine; docelan; vibeden; hydrovit; axlon; axion

物化性质

• 熔点: 200ºC (decomposes)
• 分子式: C₆₂H₈₉CoN₁₃O₁₅P
• 分子量: 1346.36
• 精确质量: 1345.567017
• PSA: 484.10000
• LogP: 6.43870
• 外观性状: 暗红色晶体或结晶粉末
• 储存条件: 2-8°C
• 水溶解性: methanol: 10 mg/mL at 20 °C, clear, dark red
• 分子结构:

  1、摩尔折射率：无可用的

  2、摩尔体积（cm³/mol）：无可用的

  3、等张比容（90.2K）：无可用的

  4、表面张力（dyne/cm）：无可用的

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：无可用的

  7、单一同位素质量：1345.56707 Da

  8、标称质量：1345 Da

  9、平均质量：1346.3551 Da

• 计算化学:

  1、 氢键供体数量：10

  2、 氢键受体数量：20

  3、 可旋转化学键数量：26

  4、 互变异构体数量：128

  5、 拓扑分子极性表面积（TPSA）：453

  6、 重原子数量：92

  7、 表面电荷：0

  8、 复杂度：3150

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：13

  11、 不确定原子立构中心数量：1

  12、 确定化学键立构中心数量：3

  13、 不确定化学键立构中心数量：0

  14、 共价键单元数量：3

• 更多:

  1. 性状：暗红色斜方晶系或者片状有轻微丙酮味固体

  2. 密度（g/mL,25/4℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：微溶

生物活性

• 描述: Hydroxocobalamin (Vitamin B12a) 是一种可注射的天然维生素 B12,具有良好的不良反应特征,可作为维生素 B12 缺乏症 (包括恶性贫血) 的膳食补充剂。
• 相关类别:
  研究领域 >> 代谢疾病
• 靶点:

  Human Endogenous Metabolite

• 参考文献:

  [1]. Cheungpasitporn W, et al. High-dose hydroxocobalamin for vasoplegic syndrome causing false blood leak alarm. Clin Kidney J. 2017 Jun;10(3):357-362.

  [2]. Wang H, et al. Oral vitamin B12 versus intramuscular vitamin B12 for vitamin B12 deficiency. Cochrane Database Syst Rev. 2018 Mar 15;3:CD004655.

  [3]. Greenberg SS, et al. Hydroxocobalamin (vitamin B12a) prevents and reverses endotoxin-induced hypotension and mortality in rodents: role of nitric oxide. J Pharmacol Exp Ther. 1995 Apr;273(1):257-65.

MSDS

Section 1. Chemical Product and Company Identification Hydroxocobalamin Common Name/ Trade Name Hydroxocobalamin 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 ContactWash with a disinfectant soap and cover the contaminated skin with an anti-bacterial cream. Seek medical attention. InhalationIf inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical attention. Serious InhalationNot available. IngestionDo NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight clothing such as a collar, tie, belt or waistband. 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...). Some metallic oxides. Fire Hazards in Presence of Slightly flammable to flammable in presence of heat. Various SubstancesNon-flammable in presence of shocks. Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available. of Various SubstancesRisks of explosion of the product in presence of static discharge: Not available. Fire Fighting MediaSMALL FIRE: Use DRY chemical powder. and InstructionsLARGE FIRE: Use water spray, fog or foam. Do not use water jet. Special Remarks onNot available. Fire Hazards Special Remarks on Explosion Not available. Hazards 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 SpillUse a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water on the contaminated surface and allow to evacuate through the sanitary system. Hydroxocobalamin Section 7. Handling and Storage PrecautionsKeep away from heat. Keep away from sources of ignition. Empty containers pose a fire risk, evaporate the residue under a fume hood. Ground all equipment containing material. Do not breathe dust. Wear suitable protective clothing. In case of insufficient ventilation, wear suitable respiratory equipment. If you feel unwell, seek medical attention and show the label when possible. Avoid contact with skin and eyes. StorageKeep container tightly closed. Keep container in a cool, well-ventilated area. Do not store above 15°C (59°F). 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 ProtectionSplash goggles. 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.OdorOdorless or has not more than slight acetone odor TasteNot available. Molecular Weight1346.38 g/mole ColorRed. pH (1% soln/water)Not available. Boiling PointNot available. Melting PointNot available. Critical TemperatureNot available. Not available. Specific Gravity Vapor PressureNot applicable. Vapor DensityNot available. VolatilityNot available. Odor ThresholdNot available. Water/Oil Dist. Coeff.Not available. Ionicity (in Water)Not available. See solubility in water. Dispersion Properties SolubilitySoluble in cold water. Insoluble in diethyl ether, acetone. Section 10. Stability and Reactivity Data The product is stable. Stability Instability TemperatureNot available. Elevated temperatures, light, incompatible materials Conditions of Instability Incompatibility with various Not available. substances Hydroxocobalamin Not available. Corrosivity Special Remarks onLight sensitive. Reactivity Special Remarks onNot available. Corrosivity Will not occur. Polymerization Section 11. Toxicological Information Routes of EntryInhalation. Ingestion. Toxicity to AnimalsLD50: Not available. LC50: Not available. Chronic Effects on Humans Not available. Other Toxic Effects onHazardous in case of skin contact (irritant), of ingestion, of inhalation. Humans Slightly hazardous in case of skin contact (sensitizer). Special Remarks onNot available. Toxicity to Animals Special Remarks onCrosses the placenta from mother to fetus Chronic Effects on Humans Special Remarks on otherAcute Potential Health Effects: Toxic Effects on HumansSkin: May cause skin irritation. May cause allergic reactions. Inhalation: Dust May cause respiratory tract irritation. Eyes: Dust may cause eye irritation. Ingestion: May cause digestive tract irritation. The toxicological properties of this substance have not been fully investigated. Section 12. Ecological Information EcotoxicityNot available. BOD5 and CODNot available. Products of BiodegradationPossibly hazardous short term degradation products are not likely. However, long term degradation products may arise. Toxicity of the ProductsThe product itself and its products of degradation are not toxic. of Biodegradation Special Remarks on theNot available. Products of Biodegradation Section 13. Disposal Considerations Waste DisposalWaste must be disposed of in accordance with federal, state and local environmental control regulations. Hydroxocobalamin Section 14. Transport Information DOT ClassificationNot a DOT controlled material (United States). IdentificationNot applicable. Not applicable. Special Provisions for Transport DOT (Pictograms) Section 15. Other Regulatory Information and Pictograms TSCA 8(b) inventory: Hydroxocobalamin Federal and State Regulations California Proposition 65 Warnings Other RegulationsEINECS: This product is on the European Inventory of Existing Commercial Chemical Substances. WHMIS (Canada) Not controlled under WHMIS (Canada). Other Classifications DSCL (EEC)R36/38- Irritating to eyes and skin.S2- Keep out of the reach of children. 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) TDG (Canada) (Pictograms) ADR (Europe) (Pictograms) Protective Equipment Hydroxocobalamin 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 : GG3820000 CHEMICAL NAME : Cobinamide, dihydroxide, dihydrogen phosphate (ester), mono (inner salt), 3'- ester with 5,6- dimethyl-1-alpha-D-ribofuranosylbenzimidazole CAS REGISTRY NUMBER : 13422-51-0 LAST UPDATED : 199701 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C62-H89-Co-N13-O15-P HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >50 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,867,1990 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3794 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 8 No. of Employees: 3157 (estimated) No. of Female Employees: 1154 (estimated)

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• RTECS号: GG3820000

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