基本情報
- CAS
24730-10-7- 標準SMILES
CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O.CS(=O)(=O)O- InChIKey
SPXACGZWWVIDGR-SPZWACKZSA-N- 分子式
- C36H45N5O8S
- 平均分子量
- 707.8 g/mol
- 単同位体質量
- 707.29888458
概要
Dihydroergocristine mesylate is the methanesulfonic acid salt of dihydroergocristine. It has been used as the for the symptomatic treatment of mental deterioration associated with cerebrovascular insufficiency and in peripheral vascular disease. It is also a component of ergoloid mesylate (codergocrine mesilate), a mixture of ergot alkaloid derivatives that is used as a vasodilator and has shown mild benefits in the treatment of vascular dementia. It has a role as a geroprotector, a vasodilator agent and an alpha-adrenergic antagonist. It contains a dihydroergocristine.
名称と識別子
- 優先名称
- Dihydroergocristine Mesylate
- IUPAC
- (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-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;methanesulfonic acid
- 現地名
- メシル酸ジヒドロエルゴクリスチン
- 英語名
- Dihydroergocristine mesylate
- 分子式
- C35H41N5O5.CH4O3S
- 分子量
- 707.84
名称と別名
DIHYDROERGOCRISTINE MESYLATE24730-10-7Dihydroergocristine mesilate9,10-Dihydroergocristine methanesulfonateDihydroergocristinmesilatDS7CL18UAMDihydroergocristine methanesulfonateDihydroergocristine MonomesylateCHEBI:31490DTXSID208723225'alpha-Benzyl-9,10alpha-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione monomethanesulphonateErgotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'alpha,10alpha)-, monomethanesulfonate (salt)
名称をさらに表示
メタンスルホン酸9,10-ジヒドロエルゴクリスチンメシル酸ジヒドロエルゴクリスチン(5′α,10α)-9,10-ジヒドロ-12′-ヒドロキシ-2′-(1-メチルエチル)-5′-(フェニルメチル)エルゴタマン-3′,6′,18-トリオン・メタンスルホン酸C13168DHEC (mesylate)Dihydroergocristine mesilate CRSDihydroergocristine mesilate (D1945000)dihydroergocristine methanesulfonate saltDIHYDROERGOCRYSTINE METHANESULFONATE SALT
物性
構造計算による物性
- 極性表面積
- 181 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 9
- 回転可能結合数
- 5
- 重原子数
- 50
- 形式電荷
- 0
- 複雑度
- 1,300
物理化学的性質
- 融点
- 210 °C · 210 °C
- 貯蔵温度
- Store at RT
- 溶解性
- 2 O: · H2O: 10 mg/mL
- 外見
- Solid
- 色
- White to off-white
- InChIKey
- SPXACGZWWVIDGR-NKQTVNRENA-N
化学的性質
化学的特性White or almost white, fine crystalline powder.
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)
安全データ
- wgk
- 2
- rtecs
- KE7600000
- ridadr
- UN 1544 6.1/PG 2
- hs_code
- 29396900
- hazard_class
- 6.1(b)
- packing_group
- III
化学と産業
薬理情報
MeSH Pharmacological Classification
Drugs used to cause dilation of the blood vessels.
Drugs that bind to but do not activate ADRENERGIC RECEPTORS. Adrenergic antagonists block the actions of the endogenous adrenergic transmitters EPINEPHRINE and NOREPINEPHRINE.
応用分野
使用Alpha receptor blocking
サプライヤー37 社
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中梦研（湖北）科技有限公司0717-6300888 18062399888 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
重庆乾泰医药研究院有限公司17864179792 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
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