Cocaine 古卡因

CAS 50-36-2 MFCD00056906

化学结构图

50-36-2
SMILES: COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C

化学属性

Mol. FormulaC17H21NO4
Mol. Weight303.39

别名和识别编码

Chemical NameL-Cocaine
Synonym "c"carrie (1r-exo,exo))-ste -古柯鹼 1-Cocaine 1-alpha-H,5-alpha-H-Tropane-2-beta-carboxylic acid, 3-beta-hydroxy-, methyl ester, benzoate 1al 1αH,5αH-Tropane-2β-carboxylic acid, 3β-hydroxy-, methyl ester, benzoate (ester) 1αH,5αH-Tropane-2β-carboxylicacid,3β-hydroxy-, 1αH,5αH-Tropane-2β-carboxylicacid,3β-hydroxy-,methy 2-Methyl-3beta-hydroxy-1alphaH,5alphaH-tropane-2beta-ca 2-beta-Tropanecarboxylic acid, 3-beta-hydroxy-, methyl ester, benzoate 2-beta-carbomethoxy-3-beta-benzoxytropane 2-beta-tropanecarboxylicacid,3 2beta-Tropanecarboxylic acid, 3beta-hydroxy-, methyl ester, benzoate (ester) 2β-Carbomethoxy-3β-(benzoyloxy)tropane 3-benzoyloxy-8-methyl-8-aza-bicyclo[3. 3-benzoyloxy-8-methyl-nor 3β-Hydroxy-2β-tropa
CAS Number50-36-2
PubChem Substance ID446220
MDL NumberMFCD00056906
EC Number200-032-7
Chemical Name Translation古卡因
Wiswesser Line NotationT56 A ANTJ A1 FVO1 GOVR
InChIInChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1
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分类

  • Alkaloids, Alphabetic, Analytical Standards, Analytical/Chromatography, Bioactive Small Molecules, C, CI-CY, CO - CZ, Cell Biology, Chemical Structure, Chromatography, Doping Substances, Drugs of Abuse, Ecgoninen, Forensic and Veterinary Standards, Stimulans
  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; alicycle; large ring; fused rings; 5ring; 6ring; 7ring; ester; chiral; 1fragment
  • {SNA} Bioactive Small Molecules, CI-CY, Cell Biology, Cell Signaling and Neuroscience, Neurobiology, Neuroscience, Neurotransmission (Obesity), Obesity Researc

相关文献及参考

  • Merck 14 ,2455
  • Short: IV/20C Title: Vapor Pressure and Antoine Coefficients for Nitrogen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20C Year: 2001 Keyword: organic compounds; vapor pressure ISBN: 3-540-41060-0 ISBN: 978-3-540-41060-7 Internet Resource: DOI:10.1007/b88812 RefComment: VII, 197 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 T
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H331 Toxic if inhaled 吸入中毒
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Precautionary statements
  • 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。
  • 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。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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。
  • P301+P310
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/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。
  • 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
  • P333+P313
  • 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.....
Signal word Danger
RTECSYM2800000
Risk Statements
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有毒
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘;
  • 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);
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • 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;
  • 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;
Packing GroupII
Hazard Class6.1(a)
Storage condition 2-8°C
UN Number UN 1648 3/PG 2
Restrict 精麻类化学品 {} 麻醉药品
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 14 mg/kg/4D-I
TOXIC EFFECTS :
   Cardiac - cardiomyopathy including infarction
REFERENCE :
   AJMEAZ American Journal of Medicine.  (Technical Pub., 875 Third Ave., New
   York, NY 10022) V.1-    1946-  Volume(issue)/page/year: 81,699,1986

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - infant
DOSE/DURATION           : 25800 ng/kg
TOXIC EFFECTS :
   Behavioral - muscle contraction or spasticity
   Behavioral - irritability
   Cardiac - pulse rate increase, without fall in BP
REFERENCE :
   PECAE5 Pediatric Emergency Care.  (Williams & Wilkins, 428 E. Preston St.,
   Baltimore, MD  21202) V.1-    1985-  Volume(issue)/page/year: 8,82,1992

T

TYPE OF TEST            : TCLo - Lowest published toxi

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 7143 ug/kg
TOXIC EFFECTS :
   Behavioral - irritability
   Gastrointestinal - nausea or vomiting
   Kidney, Ureter, Bladder - other changes in urine composition
REFERENCE :
   LANCAO Lancet.  (7 Adam St., London WC2N 6AD, UK)  V.1-    1823-
   Volume(issue)/page/year: 2,1150,1987

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 81 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - excitement
   Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-

{h

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - pig
DOSE                    : 320 mg/kg
SEX/DURATION            : female 11-17 week(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - biochemical and metabolic
REFERENCE :
   DBRRDB Developmental Brain Research.  (Elsevier Science Pub. B.V., POB 211,
   1000 AE Amsterdam, Netherlands)  V.1-    1981-  Volume(issue)/page/year:
   87,188,1995

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Implant
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 690 mg/kg
SEX/DURATION            : female 10-32 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - Central Nervous System
REFERENCE :
   BMMBES Biochemical Medicine and Metabolic Biology.  (Academic Press, Inc.,
   Journal Customer Service, POB 6250, Duluth, MN 55802-0250)  V.35-    1986-
   Volume(issue)/page/year: 50,284,1993

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 176 mg/kg
SEX/DURATION            : female 8-29 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - behavioral
REFERENCE :
   PBBHAU Pharmacology, Biochemistry and Behavior.  (ANKHO International Inc.,
   P.O. Box 426, Fayetteville, NY 13066)  V.1-    1973-
   Volume(issue)/page/year: 53,617,1996

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 176 mg/kg
SEX/DURATION            : female 8-29 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - Central Nervous System
REFERENCE :
   BRREAP Brain Research.

其他信息

  • 类别:有毒物质
  • 毒性分级:高毒
  • 可燃性危险特性:可燃, 燃烧时分解有毒氮氧化物气体
  • 急性毒性:腹腔-大鼠 LD50: 70 毫克/公斤; 口服-小鼠 LD50: 99 毫克/公斤
  • 刺激数据:眼睛- 兔 16% 轻度
  • Sigma Aldrich:50-36-2(sigmaaldrich)
  • 储运特性:库房低温,通风,干燥
  • 灭火剂:水, 二氧化碳, 泡沫, 砂土
  • MOL 文件:50-36-2.mol

系列性分类


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