3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid 2-甲基-3-羟基-4-羧基-3-羟甲基吡啶
CAS 82-82-6 MFCD00006334
化学结构图
SMILES: Cc1ncc(CO)c(C(=O)O)c1O
化学属性
| Mol. Formula | C8H9NO4 |
|---|---|
| Mol. Weight | 183.16 |
| Melting Point | 258-261 °C (dec.)(lit.) |
别名和识别编码
| Chemical Name | 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid |
|---|---|
| MDL Number | MFCD00006334 |
| CAS Number | 82-82-6 |
| Synonym | 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid 2-甲基-3-羟基-4-羧基-5-羟甲基吡啶 4-Pyridoxinic acid 4-Pyridoxylic acid 4-Pyridoxic acid 4-Pyridinecarboxylic acid, 3-hydroxy-5-(hydroxymethyl)-2-methyl- 4-吡哆酸 4-Pyridoxinecarboxylic acid 2-甲基-3-羟基-4-羧基-5-羟甲基吡啶 3-羟基-5-(羟甲基)-2-甲基-4-吡啶羧酸 3-羟基-5-(羟甲基)-2-甲基-4-吡啶羧酸 4-Pyridoxinsaeure 2-Methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid |
| PubChem Substance ID | 6723 |
| EC Number | 201-440-8 |
| Chemical Name Translation | 2-甲基-3-羟基-4-羧基-3-羟甲基吡啶 |
| Beilstein Registry Number | 0384006 |
| LabNetwork Molecule ID | LN01310396 |
| InChI | InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13) |
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分类
- {SA} Building Blocks, C8, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
相关文献及参考
- [1]. Sharma SK, et al. Determination of vitamin B6 vitamers and pyridoxic acid in biological samples. J Chromatogr. 1992 Jul 1;578(1):45-51.
安全信息
GHS Symbol
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P305+P351+P338
- H315 Causes skin irritation 会刺激皮肤
- H319 Causes serious eye irritation 严重刺激眼睛
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- 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 Wear suitable protective clothing 穿戴适当的防护服；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 7500 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - excitement REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,922,1961
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 5400 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - excitement REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,922,1961
{hTYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 500 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,922,1961
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 2900 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,922,1961
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