Eserine hemisulfate salt

CAS 64-47-1 MFCD06795853

化学结构图

64-47-1
SMILES: CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C.CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C.O=S(=O)(O)O

化学属性

Mol. FormulaC30H44N6O8S
Mol. Weight649

别名和识别编码

Chemical NamePyrrolo(2,3-b)indole,1,2,3,3a,8,8a-hexahydro-5-hydroxy-1,3a,8-trimethyl-,methylcarbamate (ester), (3aS-cis)-, sulfate (2:1)
CAS Number64-47-1
Synonym Eserine hemisulfate salt Eserine sulfate ESERINE SULFATE eserinesulphate 毒扁豆碱 半硫酸盐 Physostigmine sulphate Eserine sulphate 依色林硫酸盐 毒扁豆碱硫酸盐 PHYSOSTIGMINE HEMISULFATE PHYSOSTIGMINE SULFATE (3AS)-CIS-1,2,3,3A,8,8A-HEXAHYDRO-1,3A,8-TRIMETHYLPYRROLO[2,3-B]INDOL-5-OL METHYLCARBAMATE HEMISULFATE 3-b)indole,1,2,3,3a,8,8a-hexahydro-5-hydroxy-1,3a,8-trimethyl-pyrrolo(meth (3as-cis)-ylcarbamate(estersulfate(2:1) Physostigmine SO4 physostigmineso4 伊色林 半硫酸盐 ESERINE HEMISULFATE (3aS-cis)-1,2,3,3a,8,8a-Hexahydro-1,3a,8-trimethylpyrrolo[2,3-b]indol-5-ol methylcarbamate hemisulfate ESERINE HEMISULFATE SALT Physostigmine sulfate (3as-cis)-amate(estersulfate(2:1)(salt) Physostigmine hemisulfate Physostigminsulfat 硫酸依色林 Pyrrolo2,3-bindol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, methylcarbamate (ester), (3aS,8aR)-, sulfate (2:1) (salt) PHYSOSOTIGMINESULPHATE PHYSOSTIGMINE HEMISULFATE SALT 硫酸毒豆碱 physostigminesulphate
MDL NumberMFCD06795853
PubChem Substance ID6419928
Beilstein Registry Number3828413
EC Number200-585-4
Chemical Name Translation
Merck Number13,7469
Wiswesser Line NotationT C556 BN DNTT&J B1 D1 G1 JQ &QVM1 &QSWQ
InChIInChI=1S/2C15H21N3O2.H2O4S/c2*1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;1-5(2,3)4/h2*5-6,9,13H,7-8H2,1-4H3,(H,16,19);(H2,1,2,3,4)/t2*13-,15+;/m11./s1
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分类

  • {SNA} Acetylcholinesterase, Analytical and Industrial Enzymes, Bioactive Small Molecule Alphabetical Index, Biochemicals and Reagents, Cholinesterase Inhibitors, Cholinesterase and Organophosphate Detection Reagents, E, Enzyme Inhibitors, Neuroscience, Neurotransmission, Neurotransmitter Metabolism, 生物活性小分子, 细胞信号转导和神经科学, 细胞生物学, 酶、抑制剂和底物
  • {SNA} Acetylcholinesterase, Bioactive Small Molecules, Cell Biology, Cell Signaling and Neuroscience, E, Enzyme Inhibitors, Neuroscience, Neurotransmission, Neurotransmitter Metabolism
  • {SNA} Acetylcholinesterase,

安全信息

WGK Germany3
GHS Symbol
Hazard statements
  • H300+H330
  • H330 Fatal if inhaled 吸入致命
  • H300 Fatal if swallowed 吞食致命
RTECSUY8585000
Signal word Danger
Hazard Codes T+
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P301+P310
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • 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。
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
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);
  • S25 Avoid contact with eyes 避免眼睛接触;
Risk Statements
  • R26/28 Very toxic by inhalation and if swallowed 吸入及吞食都有剧毒
Packing GroupII
Hazard Class6.1(a)
Storage condition 2-8°C
UN Number UN 2811 6.1/PG 1
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 178 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#03167

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

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
   Pharmakologie.  (Berlin, Ger.) V.110-253, 1925-66.  For publisher
   information, see NSAPCC.  Volume(issue)/page/year: 207,547,1949

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 1250 ug/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - dyspnea
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: 44,95,1932

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 191 ng/kg
TOXIC EFFECTS :
   Behavioral - hallucinations, distorted perceptions
   Gastrointestinal - nausea or vomiting
   Gastrointestinal - other changes
REFERENCE :
   AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie.  (Leipzig,
   Ger.

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 200 ug/kg
SEX/DURATION            : female 9 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washington, DC 20037)  V.50-    1961-
   Volume(issue)/page/year: 62,1626,1973

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 200 ug/kg
SEX/DURATION            : female 8 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
   Reproductive - Specific Developmental Abnormalities - urogenital system
   Reproductive - Effects on Newborn - sex ratio
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washington, DC 20037)  V.50-    1961-
   Volume(issue)/page/year: 62,1626,1973

其他信息

  • MOL 文件:64-47-1.mol
  • F:8-21
  • Sigma Aldrich:64-47-1(sigmaaldrich)
  • 图谱信息:硫酸依色林(64-47-1)红外图谱(IR1) 硫酸依色林(64-47-1)质谱(MS) 硫酸依色林(64-47-1)红外图谱(IR2) 硫酸依色林(64-47-1)核磁图( 1 HNMR)

系列性分类


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