Eserine hemisulfate salt
CAS 64-47-1 MFCD06795853
化学结构图
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. Formula | C30H44N6O8S |
|---|---|
| Mol. Weight | 649 |
别名和识别编码
| Chemical Name | Pyrrolo(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 Number | 64-47-1 |
| 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 Number | MFCD06795853 |
| PubChem Substance ID | 6419928 |
| Beilstein Registry Number | 3828413 |
| EC Number | 200-585-4 |
| Chemical Name Translation | |
| Merck Number | 13,7469 |
| Wiswesser Line Notation | T C556 BN DNTT&J B1 D1 G1 JQ &QVM1 &QSWQ |
| InChI | InChI=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
GHS Symbol
- H300+H330
- H330 Fatal if inhaled 吸入致命
- H300 Fatal if swallowed 吞食致命
- 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。
- 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；
- R26/28 Very toxic by inhalation and if swallowed 吸入及吞食都有剧毒
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)
