(R)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide (R)-2,4-二羟基-N-(3-羟丙基)-3,3-二甲基丁酰胺

CAS 81-13-0 MFCD00065006

化学结构图

81-13-0
SMILES: CC(C)(CO)[C@@H](O)C(=O)NCCCO

化学属性

Mol. FormulaC9H19NO4
Mol. Weight205
Density1.20
Refractive indexn20/D 1.499
Flash Point159°(318°F)
TSCAYes
Boiling Point118-120
Solubility在水溶液中较稳定，但长时间加热引起外消旋作用。溶于水，乙醇，甲醇，氯仿，微溶于乙醚。不溶于脂肪和油。
Stability对湿度敏感

别名和识别编码

Chemical Name(R)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
Synonym (+)-Panthenol; (R)-(+)-2, (R)-(+)-2,4-二羟基-N-(3-羟基丙基)-3,3-二甲基丁酰胺 (R)-(+)-2,4-二羟基-N-(3-羟基丙基)-3,3-二甲基丁酰胺 右旋泛酰醇 D-泛醇 右旋泛醇 维生素原 B Bepant Bepanthen Butanamide, 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-, Butyramide, 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-, D-(+)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramide D-(+)-Panthenol D-2,4-DIHYDROXY-N-(3-HYDROXYPROPYL)-3,3-DIMETHYLBUTYRAMIDE D-N-PANTOYL-3-PROPANOLAMINE D-PANTOTHEN D-PANTOTHENOL Dexpanthenol Panthenol Panthoderm Pantothenol R-3-(2,4-Dihydroxy-3,3-dimethy R-3-(2,4-Dihydroxy-3,3-dimethylbutyramido)-1-propanol Urupan dexpanthenol (INN) {} {} {} {} { {} {} {} {} {uni_hamburg} 右旋泛醇 右泛醇
MDL NumberMFCD00065006
CAS Number81-13-0
Beilstein Registry Number1724947
EC Number201-327-3
PubChem Substance ID131204
Merck Number2947
Reaxys-RN1724947
Chemical Name Translation(R)-2,4-二羟基-N-(3-羟丙基)-3,3-二甲基丁酰胺
Wiswesser Line NotationQ3MVYQX1&1&1Q
LabNetwork Molecule IDLN00202491
InChIInChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)/t7-/m0/s1
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分类

  • {SNA} Analytical Standards, Chromatography, EP Standards, EP Standards C - D, Pharmaceutical Standards, Pharmacopeia Standards, 分析/色谱
  • {SNA} Analytical Standards,
  • {Chemicalbook} 食品添加剂: 营养强化剂（营养增补剂）: 维生素
  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, Food & Beverage Standards, Nutraceuticals, Pharmaceutical Secondary Standards, Pharmaceutical Standards, Vitamin B, Vitamins, Water-Soluble Vitamins
  • {SNA} Analytical Standards, Chromatography, Food & Beverage Standards,
  • {SNA} Amides, Asymmetric Synthesis, Chemical Synthesis, Chiral Building Blocks, Organic Building Blocks,
  • {SNA} Amides,
  • {SN

产品应用

  • 是维生素B5的前体。

相关文献及参考

  • Beilstein:4(4)1652
  • Short: EINECS
  • Short: III/38B
  • [1]. Oguz A, et al. Topical N-acetylcysteine improves wound healing comparable to dexpanthenol: an experimental study. Int Surg. 2015 Apr;100(4):656-61.

安全信息

WGK Germany1
Personal Protective Equipment Eyeshields, Gloves
RTECSES4316000
Storage condition -20°C 密封保存 储存温度 2-8℃,充氩储存 Hygroscopic
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Signal word
Hazard statements
  • H316 Causes mild skin irritation 会轻微的刺激皮肤
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • P337+P313
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
GHS Symbol 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 15 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JACTDZ Journal of the American College of Toxicology.  (Mary Ann Liebert,
   Inc., 1651 Third Ave., New York, NY 10128)  V.1-12, 1982-1993. Discontinued.
    Volume(issue)/page/year: 6(1),139,1987

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 9 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 14,43,1959

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 7 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 55802)  V.1-    1903/04-
   Volume(issue)/page/year: 73,292,1950

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 4 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 55802)  V.1-    1903/04-
   Volume(issue)/page/year: 73,292,1950

其他信息

  • D-泛醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0692 D-泛醇 D-Panthenol 500G 1470元 2014/06/02 P0692 D-泛醇 D-Panthenol 25G 189元 2010/06/21 232801000 D-泛醇 D-Panthenol 98+% 100 GR 1041元
  • 鉴别试验:于1 Ml10%试样溶液中，加氢氧化钠试液(TS-224)5ml和硫酸铜试液(TS-78)滴，剧烈振摇。应呈现深蓝色。 于1 Ml1%试样水溶液中，加1mol/L盐酸1ml，在蒸汽浴上加热约30min。冷却后加入100mg盐酸羟胺混匀，再加5ml氢氧化钠试液(TS-224)。静置5min后用1mol/L盐酸将Ph值调整至2.5～3.0，并加入1滴氯化铁试液(TS-101)。应呈现红紫色。
  • 图谱信息:D-泛醇(81-13-0)核磁图( 13 CNMR) D-泛醇(81-13-0)质谱(MS) D-泛醇(81-13-0)红外图谱(IR1) D-泛醇(81-13-0)核磁图( 1 HNMR)
  • 外观性质:澄明无色或微黄色易吸湿的黏性液。在水溶液中较稳定，但长时间加热引起外消旋作用。溶于水，乙醇，甲醇，氯仿，微溶于乙醚。不溶于脂肪和油。密度：1.20沸点：118-120℃(2.7 mmHg)折光率nD20：1.495-1.502[α]20D: 31 ° (C=5, H2O)
  • 用途二:广泛用于医药、食品、化妆品及液体制剂中
  • F:3-10
  • 用途四:是维生素B5的前体。
  • 毒性:GRAS(FDA，§182．5580，2000).
  • Sigma Aldrich:81-13-0(sigmaaldrich)
  • 用途三:医药中间体。
  • MSDS 信息:(+)-Panthenol(81-13-0).msds
  • TCI Shanghai:D-泛醇 D-Panthenol,>;98.0%(T)(81-13-0)
  • 敏感性:Hygroscopic
  • Acros Organics:D-泛酰醇 D-Panthenol, 98+%(81-13-0)
  • 在水溶液中较稳定，但长时间加热引起外消旋作用。溶于水，乙醇，甲醇，氯仿，微溶于乙醚。不溶于脂肪和油。
  • 含量分析:精确称取试样约400mg，放于有标准口的300ml回流烧瓶中，加50.0mL 0.1mol/L高氯酸的冰醋酸溶液，回流5h。冷却后用金属箔覆盖冷凝器，防止被水污染，并用冰醋酸淋洗冷凝器。加5滴结晶紫试液(TSl74)，后用0.1mol／L邻苯二甲酸氢钾的冰醋酸溶液滴定至蓝绿色终点。同时进行空白试验并作必要校正。每mL0.1mol/L高氯酸相当于泛醇(C9H1 9NO4)20.53mg。
  • 参考质量标准:FCC，1996 含量(以无水物计) 98.0%～102.0% 氨基丙醇 ≤1% 重金属(以Pb计，GT-16-2) ≤10mg/kg 折射率n D 20 1.495～1.502 灼烧残渣(GT-27) ≤0.1% 比旋光度[α] D 25 (按无水物计500mg/10ml水溶液为试样液) +29.0°～+31.5° 水分(GT-32-1) ≤1%
  • MOL 文件:81-13-0.mol
  • 用途一:用于头发护理，皮肤保湿剂，并有助皮肤伤口愈合，抗击炎症，有利于晒后修复
  • 比旋光度:30.5 ° (c=5, H2O on anh. sub)
  • Alfa Aesar:D-泛醇,98+% D-Panthenol, 98+%(81-13-0)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Building Blocks 手性分子砌块
  4. Organic Building Blocks - Chiral Building Blocks
  5. Alcohols - Organic Building Blocks
  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Vitamins - Nutrition Research
  4. Vitamin B - Vitamins
  5. Vitamin B5 - Vitamin B
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Pharmaceutical Standards - Chromatography
  5. Pharmaceutical Secondary Standards - Pharmaceutical Standards
  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Building Blocks 手性分子砌块
  4. Organic Building Blocks - Chiral Building Blocks
  5. Polyols - Organic Building Blocks
  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Building Blocks 手性分子砌块
  4. Organic Building Blocks - Chiral Building Blocks
  5. Polyols - Organic Building Blocks
  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Building Blocks 手性分子砌块
  4. Organic Building Blocks - Chiral Building Blocks
  5. Amides - Organic Building Blocks
  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Building Blocks 手性分子砌块
  4. Organic Building Blocks - Chiral Building Blocks
  5. Amides - Organic Building Blocks
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Alkenes 烯烃
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Polyamines 多胺
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Substrates
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Vitamins
  4. Vitamin B4
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)