Pentobarbital Sodium 戊巴比妥钠

CAS 57-33-0 MFCD00070198

化学结构图

57-33-0
SMILES: CCCC(C)C1(CC)C(=O)N=C([O-])NC1=O.[Na+]

化学属性

Mol. FormulaC11H18N2O3.Na
Mol. Weight249.30
Appearance 白色或类白色粉末
SolubilityH2O: soluble

别名和识别编码

Chemical NamePentobarbital Sodium
CAS Number57-33-0
Synonym ######## 5-ETHYL-5-[1-METHYLBUTYL]-2,4,6-TRIOXOHEXAHYDROPYRIMIDINE SODIUM SALT 5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione monosodium 5-Ethyl-5-(1-methylbutyl)-2,4,6-trioxohexahydropyrimidine Nembutal 5-Ethyl-5-(1-methylbutyl)-2,4,6-trioxohexahydropyrimidine sodium salt 5-Ethyl-5-(1-methylbutyl)barbituric acid sodium salt 5-ethyl-5-(1-methylbutyl)-2,4,6(1h,3h,5h)-pyrimidinetrionemonosodiumsalt 5-ethyl-5-(1-methylbutyl)-barbituricacisodiumsalt 5-ethyl-5-(1-methylbutyl)barbituricacidsodiumsalt 5-乙基-5-(1-甲基丁基)-2,4,6-三氧代六氢嘧啶钠盐 Auropan Barpental Biosedan Butylmethyl ethyl malonyl urea sodium Butylone Carbrital Continal Diabutal Embutal Etaminal Etaminal sodium Ethaminal
MDL NumberMFCD00070198
PubChem Substance ID23676152
EC Number200-323-9
Chemical Name Translation戊巴比妥钠
Wiswesser Line NotationT6VMVMV FHJ FY3&1 F2 &-NA-
LabNetwork Molecule IDLN00004604
InChIInChI=1S/C11H18N2O3.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; alicycle; 6RingOnly; 6ring; amide; lactame; 2fragments; ionic
  • {SNA} Neurobiology, Neuroscience, Pharmacologicals, Sedative/Hypnotics, 细胞信号转导和神经科学, 细胞生物学
  • Heterocycles
  • Pharmaceuticals
  • Intermediates & Fine Chemicals
  • {SNA} Bioactive Small Molecules, Cell Biology, Cell Signaling and Neuroscience, Neurobiology, Neuroscience, P, Pharmacologicals, Sedative/Hypnotics

产品应用

  • Sedative, hypnoyic.

相关文献及参考

  • Schafer, E.W., et al.: Toxicol. Appl. Pharmacol., 21, 315 (1972),
  • Woster, P.S., et al.: Clin. Pharm., 9, 762 (1990),
  • Evans, A.T., et al.: J. Am. Vet. Med. Assoc., 203, 664 (1993),
  • Short: IV/1b Title: Densities of Liquid Systems: Densities of Binary Aqueous Systems and Heat Capacities of Liquid Systems Author: D'Ans, J.; Surawski, H.; Synowietz, C. Editor: Schäfer, Kl. Source: Landolt-Börnstein, New Series Volume: IV/1b Year: 1977 ISBN: 3-540-08272-7 ISBN: 978-3-540-08272-9 Internet Resource: DOI:10.1007/b20004 RefComment: 62 figs., VII, 335 pages. Hardcover Abstract: Volume IV/1 contains information on the densities of liquid systems. It may be considered as a supplement to volume II/1 of the 6th Edition, which contains only a few data on nonaqueous systems. Data are not listed for all systems but primarily for those of greater interest where data for a larger range of concentrations were available.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

WGK Germany3
GHS Symbol
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+P310
  • P301+P316
  • P307+P311
  • P308+P313
  • P308+P316
  • P318
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
  • H370 Causes damage to organs 导致器官损伤
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
RTECSCQ6125000
Signal word Danger
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes T
Safety Statements
  • 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）；
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
UN Number UN 2811 6.1/PG 3 2811
Packing GroupIII
Hazard Class6.1(b)
Restrict 精神药品 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Behavioral - general anesthetic
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 60,125,1937

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 47 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 180,155,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 175 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 42,253,1931

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 239 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: 31,2180,1981

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

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 1500 umol/L
REFERENCE :
   BCPCA6 Biochemical Pharmacology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.1-    1958-  Volume(issue)/page/year:
   22,229,1973

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 64800 ug/kg
REFERENCE :
   IMSCE2 IRCS Medical Science.  (Lancaster, UK)  V.12-14, 1984-86.  For
   publisher information, see MSCREJ.  Volume(issue)/page/year: 14,832,1986

TYPE OF TEST            : Mutation test systems - not otherwise specified
ROUTE OF EXPOSURE       : Unreported
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 60 mg

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Rodent - mouse Cells - not otherwise specified
DOSE/DURATION           : 500 umol/L
REFERENCE :
   BCPCA6 Biochemical Pharmacology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.1-    1958-  Volume(issue)/page/year:
   22,229,1973

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Rodent - mouse Cells - not otherwise specified
DOSE/DURATION           : 500 umol/L
REFERENCE :
   BCPCA6 Biochemical Pharmacology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.1-    1958-  Volume(issue)/page/year:
   22,229,1973

TYPE OF TEST            : Dominant lethal test
ROUTE OF EXPOSURE       : Subcutaneous
TEST SYSTEM             : Rodent - hamster
DOSE/DURATION           : 100 mg/kg
REFERENCE :
   AEHLAU Archives of Environmental Health.  (Heldref Pub., 4000 Albemarle St.,
   NW, Washington, DC 20016)  V.1-    1960-  Volume(issue)/page/year:
   36,3

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - guinea pig
DOSE                    : 30 mg/kg
SEX/DURATION            : female 63 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - abortion
   Reproductive - Effects on Newborn - stillbirth
   Reproductive - Effects on Newborn - live birth index (

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - hamster
DOSE                    : 100 mg/kg
SEX/DURATION            : female 1 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - cytological changes (including
   somatic cell genetic material)
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   AEHLAU Archives of Environmental Health.  (Heldref Pub., 4000 Albemarle St.,
   NW, Washington, DC 20016)  V.1-    1960-  Volume(issue)/page/year:
   36,316,1981

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - hamster
DOSE                    : 920 mg/kg
SEX/DURATION            : female 8-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 25(2),48A,1982

TYPE OF TEST

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 22 mg/kg
SEX/DURATION            : female 10 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - other effe

其他信息

  • 用途三:具麻醉、安静和催眠作用；增强 GABAergic 活性用于生产安眠剂、镇静剂。
  • MOL 文件:57-33-0.mol
  • 用途二:用于生产安眠剂、镇静剂等
  • 用途一:用作普通试剂，在制药工业中用以生产安眠剂、镇静剂
  • Sigma Aldrich:57-33-0(sigmaaldrich)

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. P - Bioactive Small Molecules

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