Vitamin D2 (1S,3Z)-4-亚甲基-3-[(2E)-2-[(1R,3aS,7aR)-八氢-7a-甲基-1-[[1R,2E,4R)-1,4,5-三甲基-2-己烯-1-基]-4H-茚满-4-亚丙基]亚乙基]环己醇

CAS 50-14-6 MFCD00166988

化学结构图

50-14-6
SMILES: C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C

化学属性

Mol. FormulaC28H44O
Mol. Weight397
Density0.97
Melting Point114
Appearance D 20 +102.5°(乙醇),本品乙醇液在265nm波长处有最大吸收。易溶于乙醇(1:2)、乙醚(1:2)、丙酮(1:10)和氯仿(1:0.7),不溶于水。遇氧或光照活性降低。 powder 白色针状结晶或结晶性粉末,无臭,无味。Mp115-118℃(分解),比旋光度[α]
SolubilityH2O: 200 mg/mL, clear to hazy
Stability对水和潮气敏感,对光线敏感

别名和识别编码

Chemical NameVitamin D2
Synonym 'ERGOSTEROL IRRADIATED' 9,10-secoergosta-5,7,10,22-tetraen-3-ol CALCIFEROL CALCIFEROL ERGOSTEROL CALCIFEROL RESIN Calciferol Calciferol; Ergocalciferol; Oleovitamin D2; 9,10-Secoergosta-5,7,10,22-tetraen-3-ol Calciferols Condac Crtron Crys D-Arthin D2, Vitamin Decaps Dee-Roual Doral Drisdol ERGOCALCIFEROL ERGOCALCIFEROLUM ERGOSTEROL IRRADIATED Ergocalciferol Ergocalciferols Fortodyl MYKOSTIN Mykostin Oleovitamin D Ostelin Rodinec Vitamin D 2 Vitamin D2 alpha-骨化醇 {} {} {} {} {Chemicalboo 丁二素,麦角骨化醇,骨化醇,麦角钙化醇,麦角钙化甾醇 维生素
MDL NumberMFCD00166988
CAS Number50-14-6
EC Number200-014-9
Beilstein Registry Number1916682
PubChem Substance ID5280793
Merck Number10018
Chemical Name Translation(1S,3Z)-4-亚甲基-3-[(2E)-2-[(1R,3aS,7aR)-八氢-7a-甲基-1-[[1R,2E,4R)-1,4,5-三甲基-2-己烯-1-基]-4H-茚满-4-亚丙基]亚乙基]环己醇
Wiswesser Line NotationL56 FYTJ A1 BY1&1U1Y1&Y1&1 FU2U- BL6YYTJ AU1 DQ
LabNetwork Molecule IDLN01326436
InChIInChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1
信息真实价格透明    资金保障    专业采购外包团队在线服务   
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分类

  • {SNA} Linum usitatissimum (Flax), Metabolic Pathways, Nutrition Research, Phytochemicals by Plant (Food/Spice/Herb), Steroid Metabolism, Vitamin D, Vitamin D2, Vitamins, 代谢组学, 细胞生物学
  • {SNA} Linum usi
  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography,

产品应用

  • 主要用于防治佝偻病和骨质软化病。可由麦固醇经紫外光照射转化而成。

相关文献及参考

  • [2]. R Gagnemo-Persson, et al. Chicken parathyroid hormone gene expression in response to gastrin, omeprazole, ergocalciferol, and restricted food intake. Calcif Tissue Int. 1997 Sep;61(3):210-5.
  • [3]. F Ariyuki, et al. Growth retardation induced in rat fetuses by maternal fasting and massive doses of ergocalciferol. J Nutr. 1987 Feb;117(2):342-8.
  • Merck: 14,10018
  • Merck: 14,10018 Beilstein:6(3)3089
  • [1]. Sagar U Nigwekar, et al. Ergocalciferol and cholecalciferol in CKD. Am J Kidney Dis. 2012 Jul;60(1):139-56.
  • [1]. Sagar U Nigwekar, et al. Ergocalciferol and cholecalciferol in CKD. Am J Kidney Dis. 2012 Jul;60(1):139-56.
  • [2]. R Gagnemo-Persson, et al. Chicken parathyroid hormone gene expression in response to gastrin, omeprazole, ergocalciferol, and restricted food intake. Calcif Tissue Int. 1997 Sep;61(3):210-5.
  • [3]. F Ariyuki, et al. Growth retardation induced in rat fetuses by maternal fasting and massive doses of ergocal

安全信息

Signal word Danger
GHS Symbol
WGK Germany2
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • 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;
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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);
  • S7 Keep container tightly closed 保存在严格密闭容器中;
Risk Statements
  • R24/25 Toxic in contact with skin and if swallowed 皮肤接触及吞食都有毒
  • R26 Very toxic by inhalation 吸入极毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R48/25
Precautionary statements
  • 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。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P301+P310
  • P301+P310+P330
  • P302+P352
  • P302+P352+P312
  • P304+P340
  • P304+P340+P310
  • P305+P351+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • 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
  • P320 Specific treatment is urgent (see … on this label). 紧急具体治疗(见本标签上的)。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P322 Specific measures (see …on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard Codes 6.1 F T+
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H300 Fatal if swallowed 吞食致命
  • H301 Toxic if swallowed 吞食有毒
  • H301+H311
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H330 Fatal if inhaled 吸入致命
  • H372 Causes damage to organs through prolonged or repeated exposure 长期或频繁接触会损伤器官
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
RTECSKE1050000
UN Number 2811 UN 2811 6.1/PG 2
Storage condition 0-10 2-8°C 2-8°C避光储存,充氩保存 0-10°C
Packing GroupII
Hazard Class6.1
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 40 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: 6,128,1982

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 10 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - fluid intake
   Gastrointestinal - nausea or vomiting
REFERENCE :
   ZGEMAZ Zeitschrift fuer die Gesamte Experimentelle Medizin.  (Berlin, Fed.
   Rep. Ger.)  V.1-139, 1913-65.  For publisher information, see REXMAS.
   Volume(issue)/page/year: 116,13

TYPE OF TEST            : LDLo - Lowest publish

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - duck
DOSE/DURATION           : >2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   DEVEAA Defense des Vegetaux. (Federation Nationale des Groupements de
   Protection des Cultures, 149, rue de Bercy, 75595 Paris Cedex, 12, France)
   V.1-  1947-  Volume(issue)/page/year: 43(255-256),14,1989

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 10 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85ARAE "Agricultural Chemicals," Thomson, W.T., 4 vols., Fresno, CA, Thomson
   Publications, 1976/77 revision  Volume(issue)/page/year: 3,132,1986

TYPE OF TEST            : LD5

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 45 mg/kg
SEX/DURATION            : female 13-21 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - endocrine system
REFERENCE :
   ARPAAQ Archives of Pathology.  (Chicago, IL)  V.5(3)-50(3), 1928-50;
   V.70-99, 1960-75.  For publisher information, see APLMAS.
   Volume(issue)/page/year: 73,371,1962

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 30 mg/kg
SEX/DURATION            : female 10-21 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
   Reproductive - Effects on Newborn - weaning or lactation index (e.g., #
   alive at weaning per # alive at day 4)
REFERENCE :
   45REAG "Teratology of the Limbs, Symposium on Prenatal Development, 4th,
   1980," Merker, H.J., et al., eds., Berlin, Walter de Gruyter and Co., 1980
   Volume(issue)/page/year: 4,339,1980

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 33750 ug/kg
SEX/DURATION            : female 9 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - menstrual cycle changes or disorders
   Reproductive - Fertility - female fertility index (e.g. # females pregnant
   per # sperm positive females; # females pregnant per # females mated)
REFERENCE :
   IJMDAI Israel Journal of Medical Sciences.  (POB 1435, Jerusalem 91013,
   Israel)  V.1-    1965-  Volume(issue)/page/year: 2,14,1966

TYPE OF TEST            : TDLo - Lowest publishe

其他信息

  • 所属类别二:食品添加剂: 营养强化剂: 维生素类
  • 用途三:主要用于防治佝偻病、骨软化症、婴儿手足搐搦症等。
  • 维生素D:维生素D指一组脂溶性类固醇化合物,具有抗佝偻病作用,故称为抗佝偻病维生素,目前已知至少有十种以上具有维生素D活性的甾醇物质,主要的有存在于植物油或酵母中的麦角固醇经日光或紫外线照射后生成维生素D2,又称钙化醇或麦角钙化醇。故麦角固醇被称为维生素D2原; 另一个是人体可将胆固醇转变为7-脱氢胆固醇贮存于皮下,在日光和紫外线照射下,后者可以转变成维生素D3,又称胆钙化醇,故7-脱氢胆固醇也被称为维生素D3原。维生素D2和维生素D3的结构十分相似,均是前体甾醇的B环开环衍生物,两者差异在于维生素D2的侧链上多一个双键和一个甲基。 维生素D2和维生素D3均为无色或白色结晶,均无臭,熔点分别为115~118℃和84~85℃,不溶于水,易溶于乙醇、乙醚、丙酮等,略溶于植物油。在空气和日光下均不稳定,在潮湿空气中易失活,但维生素D3较维生素D2稳定。两者在人体内的生理作用相同;其主要作用是保持钙、磷的正常代谢,促进钙、磷向骨骼及组织中的沉积,故本品可用于防治佝偻病和骨软化症等代谢性骨骼疾病。 维生素D2和D3对哺乳动物奶牛和猪的作用相同。但维生素D3对家禽(鸟类)的活性较维生素D2强十倍。 维生素D缺乏会降低肠道对钙的吸收,引起骨钙和磷的分解。年幼家畜会出现骨软化症,成年动物易出现骨质疏松症。维生素D缺乏还可导致动物胸骨和脊柱变形以及蛋鸡下软壳蛋等。由于维生素D控制钙、磷的吸收,日粮中过多的维生素D会引起血钙过高,使多余的钙沉积在心脏、血管、关节、心包或肠壁,导致心力衰竭、关节强直或肠道疾患。 日光浴是最经济的维生素D来源。饲料中的麦角甾醇或7-脱氢胆甾醇,经紫外线照射在动物体内转变成维生素D,供畜体利用。日晒干草、玉米叶、大麦、燕麦、小麦和经紫外线处理的酵母是较好的维生素D来源。动物产品可直接为家畜提供维生素D,如蛋、奶类。鱼肝油中维生素D含量很高。室内饲养的动物和光照不足的动物,日粮中需考虑添加维生素D。 ChemicalBook编辑整理。
  • 无臭无味。在空气和日光下都不稳定。不溶于水,易溶于乙醇、乙醚或氯仿中。遇无机酸、醛类,或者温度过高时,都易分解。
  • 图谱信息:alpha-骨化醇(50-14-6)红外图谱(IR1) alpha-骨化醇(50-14-6)核磁图( 13 CNMR)
  • 参考质量标准三:GB 14755—1993 含量(以C28H44O计)/% 97.0~103.0 麦角甾醇(洋地黄皂苷试验) 不发生浑浊或沉淀
  • {Chemic
  • 存储注意事项:湿度敏感;光敏感;氮气保护;空气敏感
  • MSDS 信息:Vitamin D2(50-14-6).msds
  • {Chemical
  • MOL 文件:50-14-6.mol
  • Sigma Aldrich:50-14-6(sigmaaldrich)
  • 维生素D:维生素D指一组脂溶性类固醇化合物,具有抗佝偻病作用,故称为抗佝偻病维生素,目前已知至少有十种以上具有维生素D活性的甾醇物质,主要的有存在于植物油或酵母中的麦角固醇经日光或紫外线照射后生成维生素D2,又称钙化醇或麦角钙化醇。故麦角固醇被称为维生素D2原; 另一个是人体可将胆固醇转变为7-脱氢胆固醇贮存于皮下,在日光和紫外线照射下,后者可以转变成维生素D3,又称胆钙化醇,故7-脱氢胆固醇也被称为维生素D3原。维生素D2和维生素D3的结构十分相似,均是前体甾醇的B环开环衍生物,两者差异
  • 参考质量标准二:GB 14755—93 含量(以C28H44O计) 97.0%~103.0% 麦角甾醇(洋地黄皂苷试验) 不发生浑浊或沉淀 比旋光度[α] D 20 +102.0°~+107.0° 吸收系数(265nm)E 1cm 1% 460~490 FCC,1996 含量 97.0%~103.0% 麦角甾醇试验 正常 熔点 115~11 9℃ 还原物质试验 阴性 比旋光度[α] D 25 +103°~+106°
  • 用途四:主要用于防治佝偻病和骨质软化病。可由麦固醇经紫外光照射转化而成。
  • 所属类别三:食品添加剂: 营养强化剂(营养增补剂): 维生素
  • 参考质量标准三:GB 14755

系列性分类


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