Thiopental Thiopental

CAS 76-75-5 MFCD00057564

化学结构图

76-75-5
SMILES: CCCC(C)C1(CC)C(=O)NC(=S)NC1=O

化学属性

Mol. FormulaC11H18N2O2S
Mol. Weight242
Melting Point158-160°C

别名和识别编码

Chemical NameUnited States Pharmacopeia (USP) Reference Standard Thiopental
CAS Number76-75-5
Synonym {uni_hamburg} 5-Ethyl-5-(1-methylbutyl)-2-thiobarbituric acid Pentothal (+/-)-THIOPENTAL Penthiobarbital Pentothiobarbital Thiopentobarbital Intraval Thionembutal 5-Ethyldihydro-5-(1-methylbutyl)-2-thioxo-4,6(1H,5H)-pyrimidinedione 4,6,(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo- Tiopentale thiopentobarbital thiopental Thiothal 5-Ethyl-5-(1-methylbutyl)-2-thiobarbituric acid Thiopentone pentothiobarbital Nesdonal Thiopental (±)-Thiopental 5-Ethyl-5-(1-methylbutyl)-2-thiobarbituric acid Pentothal Thiomebumal Pentothal 5-ethyl-5-(1-methylbutyl)-2-thiobarbituric acid
PubChem Substance ID3000715
EC Number200-984-3
MDL NumberMFCD00057564
Chemical Name TranslationThiopental
Wiswesser Line NotationT6VMYMV FHJ CUS FY3&1 F2
Beilstein Registry Number0209361
InChIInChI=1S/C11H18N2O2S/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)
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分类

  • Abbott, Approved Therapeutics/Drug Candidates, Bioactive Small Molecules, Cell Biology, Cell Signaling and Neuroscience, Neurobiology, Neuroscience, Pharmacologicals, Sedative/Hypnotics, T
  • {uni_hamburg} no charge; nitrogen heterocycle; alicycle; 6RingOnly; 6ring; amide; lactame; racemate; 1fragment
  • {SNA} Abbott, Approved Therapeutics/Drug Candidates, Bioactive Small Molecules, Cell Biology, Cell Signaling and Neuroscience, Neurobiology, Neuroscience,
  • {SNA} Analytical Standards, EP Standards, EP Standards S - T, Pharmacopeia Metrological Institutes Standards, 分析/色谱
  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography,

产品应用

  • A thio-derivative of Barbituric acid. Controlled substance (depressant). Anesthetic.

相关文献及参考

  • Christensen, L., et al.: Toxicol. Appl. Pharmacol., 26, 495 (1973),
  • McLeish, M. J., Anal. Profiles Drug Subs. Excip., 21, 535 (1992),
  • Short: IV/8A Title: Enthalpies of Fusion and Transition of Organic Compounds Author: Zhang, Z.-Y.; Frenkel, M.; March, K.N.; Wilhoit, R.C. Editor: Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8A Year: 1995 Keyword: organic compounds; enthaly of fusion; melting point; phase transition ISBN: 3-540-58854-X ISBN: 978-3-540-58854-2 Internet Resource: DOI:10.1007/b55145 RefComment: VIII, 588 pages.
  • 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

GHS Symbol
WGK Germany3
Hazard Codes Xn
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Precautionary statements
  • P301+P310
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • 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。
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • 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。
Signal word Warning
RTECSCQ6300000
Packing GroupIII
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
Storage condition 2-8°C
Hazard Class6.1(b)
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
UN Number UN 1230 3/PG 2
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 120 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   27ZIAQ "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes,
   C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973
   Volume(issue)/page/year: -,260,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 74 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PHTXA6 Pharmacology and Toxicology.  English translation of FATOAO.  (New
   York, NY)  V.20-22, 1957-59.  Discontinued.  Volume(issue)/page/year:
   20,569,1957

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BJPCAL British Journal of Pharmacology and Chemotherapy.  (London, UK)
   V.1-33, 1946-68.  For publisher information, see BJPCBM.
   Volume(issue)/page/year: 1,215,1946

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 110 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FSTEAI Farmaco. Scienza e Tecnica.  (Pavia, Italy)  V.1-7, 1946-52.  For
   publisher information, see FRPSAX.  Volume(issue)

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent -

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Human Leukocyte
DOSE/DURATION           : 1500 mg/L
REFERENCE :
   TGANAK Tsitologiya i Genetika.  Cytology and Genetics.  For English
   translation, see CYGEDX. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-    1967-  Volume(issue)/page/year: 18(1),13,1984

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1020 mg/kg
SEX/DURATION            : female 1-17 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   REANBJ Revista Espanola de Anestesiologia y Reanimacion.  (Barcellona,
   Spain)  V.1-12, 1954-65.  Volume(issue)/page/year: 26,137,1979

其他信息

  • MOL 文件:76-75-5.mol
  • Sigma Aldrich:76-75-5(sigmaaldrich)

系列性分类


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