Dihydroergotamine mesilate(CAS 6190-39-2):分子式 C33H37N5O5、分子量 583.7。
登记用途:Uses: Use (kg、approx.) in Germany (2009): >25、Consumption (g per capita、approx.) in Germany (2009): 0.000305、Calculated removal (%): 2.8、Dihydroergotamine is a 9、10alpha-dihydro derivative of ergotamine. It is used as a vasoconstrictor、specifically for the therapy of migraine disorders. Ergoline alkaloids occurs in various species of vines of the Convolvulaceae (morning glory) family and in some species of lower fungi. (L1918、L1932) For the acute treatment of migraine headaches with or without aura and the acute treatment of cluster headache episodes.、Use Classification: Pharmaceuticals。
Dihydroergotamine mesilate 是一种化工化合物,登记 CAS 号为 6190-39-2,分子式 C33H37N5O5(分子量 583.7)。
登记 CAS 号:6190-39-2
其分子式 C33H37N5O5 由 33 个碳、37 个氢、5 个氮、5 个氧 组成。
别名/同义词:Dihydroergotamine mesilate · Dihydroergotamine Mesylate
Dihydroergotamine mesilate 的 CAS 登记号为 6190-39-2。
分子式 C33H37N5O5,分子量 583.7。
别名/同义词:Dihydroergotamine mesilate、Dihydroergotamine Mesylate。
登记用途:Uses: Use (kg、approx.) in Germany (2009): >25、Consumption (g per capita、approx.) in Germany (2009): 0.000305、Calculated removal (%): 2.8、Dihydroergotamine is a 9、10alpha-dihydro derivative of ergotamine. It is used as a vasoconstrictor、specifically for the therapy of migraine disorders. Ergoline alkaloids occurs in various species of vines of the Convolvulaceae (morning glory) family and in some species of lower fungi. (L1918、L1932) For the acute treatment of migraine headaches with or without aura and the acute treatment of cluster headache episodes.、Use Classification: Pharmaceuticals。
Dihydroergotamine mesilate(CAS 6190-39-2)的公开数据库记录,列此仅供独立核对。
| Reported hazard statements | H302 (66.7%), H312 (33.3%), H332 (66.7%) |
|---|
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
| 溶解度 | 2.29e-01 g/L |
|---|
| CAS Registry Number | 6190-39-2 |
|---|---|
| PubChem CID | 10531 |
| 分子式 | C33H37N5O5 |
| IUPAC 名称 | (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide |
| UNII(FDA) | 436O5HM03C |
dihydroergotamine; 511-12-6; 9,10-Dihydroergotamine; Dihidroergotamina; Dihydroergotaminum; Neomigran; Diidroergotamina; Agit; MAP0004; DTXSID6045614; MAP-0004; 436O5HM03C; CHEBI:4562; DTXCID4025614; 5'-Benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman; 9,10-Dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione
| 分子量 | 583.7 |
|---|---|
| XLogP3 | 2.4 |
| 氢键供体数 | 3 |
| 氢键受体数 | 6 |
| 可旋转键数 | 4 |
| 精确质量 | 583.27946930 |
| 单同位素质量 | 583.27946930 |
| 拓扑极性表面积 | 118 |
| 重原子数 | 43 |
| 形式电荷 | 0 |
Dihydroergotamine mesilate · CAS 6190-39-2 · C33H37N5O5. UNII 436O5HM03C. 溶解度: 2.29e-01 g/L.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。