(2-Hydroxyethyl)trimethylammonium salicylate 水杨酸胆碱
CAS 2016-36-6 MFCD00242760
化学结构图
SMILES: C[N+](C)(C)CCO.O=C(O)c1ccccc1[O-]
化学属性
| Mol. Formula | C12H19NO4 |
|---|---|
| Mol. Weight | 241.28 |
| Melting Point | 49.5-50.0 °C |
| Boiling Point | 384.06 °C at 760 mmHg |
别名和识别编码
| Chemical Name | (2-Hydroxyethyl)trimethylammonium salicylate |
|---|---|
| Synonym | 2-Hydroxy-N,N,N-trimethylethan-1-aminium 2-carboxyphenolate {LY} 2-Hydroxy-N,N,N-trimethylethan-1-aminium 2-carboxyphenolate {} {LY} 2-Hydroxy-N,N,N-trimethylethan-1-aminium 2-carboxyphenolate {} {} {LY} 2-Hydroxy-N,N,N-trimethylethan-1-aminium 2-carboxyphenolate {} {} {} {LY} 2-Hydroxy-N,N,N-trimethylethan-1-aminium 2-carboxyphenolate {} {} {} {} {LY} 2-Hydroxy-N,N,N-trimethylethan-1-aminium 2-carboxyphenolate {} {} {} {} {} {LY} 2-Hydroxy-N,N,N-trimethylethan-1-aminium 2-carboxyphenolate {} {} {} {} {} {} {LY} 2-Hydroxy-N,N,N-trimethylethan-1-aminium 2-carboxyphenolate {} {} {} {} {} {} {} {LY} 2-Hydroxy-N,N,N-trimethylethan-1-aminium 2-carboxyphenolate {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-N,N,N-trimethylethan-1-aminium 2-carboxyphenolate {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-N,N,N-trimethylethan-1-aminium 2-carboxyphenolate {} {} {} {} {} {} {} {} {} {} {LY} 2-Hydroxy-N,N,N-trimethylethan-1-aminium 2-carboxyphenolate {} {} {} {} {} {} {} {} {} {} {} {LY} 2-H |
| MDL Number | MFCD00242760 |
| PubChem Substance ID | 54686350 |
| EC Number | 217-948-8 |
| CAS Number | 2016-36-6 |
| Chemical Name Translation | 水杨酸胆碱 |
| Wiswesser Line Notation | QR BVO2K1&1&1 &Q |
| InChI | InChI=1S/C7H6O3.C5H14NO/c8-6-4-2-1-3-5(6)7(9)10;1-6(2,3)4-5-7/h1-4,8H,(H,9,10);7H,4-5H2,1-3H3/q;+1/p-1 |
| Canonical SMILES | C1=CC=C(C(=C1)C(=O)O)[O-].C[N+](C)(C)CCO |
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TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,291,1982
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 2690 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,291,1982
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 410 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,291,1982
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