Dihydroergotamine tartrate 双氢麦角胺酒石酸盐
CAS 5989-77-5 MFCD00050969
化学结构图
SMILES: CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.O=C(O)C(O)C(O)C(=O)O
化学属性
| Mol. Formula | 2(C₃₃H₃₇N₅O₅) • C₄H₆O₆ |
|---|---|
| Mol. Weight | 583.69 |
| Melting Point | >110°C (dec.) |
| Boiling Point | |
| Flash Point | - |
别名和识别编码
| Chemical Name | Dihydroergotamine tartrate |
|---|---|
| MDL Number | - |
| CAS Number | 5989-77-5 |
| PubChem Substance ID | 6419911 |
| Chemical Name Translation | 双氢麦角胺酒石酸盐 |
| Synonym | Dihydroergotamine (+)-Tartrate Salt (2:1) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} |
| EC Number | 227-816-1 |
| InChI | InChI=1S/2C33H37N5O5.C4H6O6/c2*1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;5-1(3(7)8)2(6)4(9)10/h2*3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1-2,5-6H,(H,7,8)(H,9,10)/t2*21-,23-,25-,26+,27+,32-,33+;/m11./s1 |
| Canonical SMILES | - |
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分类
- {SNA} Alkaloids, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Chemical Structure, Chromatography, D, DID - DIN, Drugs & Metabolites, Drugs of Abuse, Ergotamine, Forensic and Veterinary Standards, Neat Compounds
- {SNA} Analytical Standards, Chromatography, EP Standards, EP Standards C - D, Pharmaceutical Standards, Pharmacopeia Standards, 分析/色谱
- {SNA} Alkaloids, Analytical Standards, Chemical Structure, Chromatography, Drugs & Metabolites, Drugs of Abuse,
安全信息
- H301+H311+H331
- H302 Harmful if swallowed 吞食有害
- H312 Harmful in contact with skin 皮肤接触有害
- H332 Harmful if inhaled 吸入有害
- 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。
- 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+P330
- P301+P312
- P301+P317
- P302+P350
- P302+P352
- P302+P352+P312+P361+P364
- P304+P312
- P304+P340
- P304+P340+P311
- 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。
- P317
- 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
- P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
- P362+P364
- 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.....
GHS Symbol
- S36 Wear suitable protective clothing 穿戴适当的防护服；
- R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
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