基本情報
- CAS
65-19-0- 標準SMILES
COC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O.Cl- InChIKey
PIPZGJSEDRMUAW-VJDCAHTMSA-N- 分子式
- C21H27ClN2O3
- 平均分子量
- 390.9 g/mol
- 単同位体質量
- 390.1710204
概要
See also: Yohimbine (has active moiety); Pausinystalia yohimbe bark (annotation moved to); Amberlite CG 400 (annotation moved to).
名称と識別子
- 優先名称
- Yohimbine Hydrochloride
- IUPAC
- methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride
- 現地名
- ヨヒンビン 塩酸塩
- 英語名
- Yohimbine hydrochloride
- 分子式
- C21H27ClN2O3
- 分子量
- 390.9
名称と別名
YOHIMBINE HYDROCHLORIDE65-19-0Yohimbine HClProwess plainYobine InjectionNB2E1YP49FHydrochloride, AphrodineHydrochloride, YohimbineNSC-19509DTXSID40891272RefChem:56589DTXCID601030458
名称をさらに表示
ヨヒンビン 塩酸塩ヨヒンビン·塩酸塩ヨヒンビン塩酸塩塩酸ヨヒンビン[17α-ヒドロキシヨヒンバン-16α-カルボン酸メチル]·塩酸塩ヨヒンビン塩酸塩標準品ヨヒンビン・塩酸塩[17α-ヒドロキシヨヒンバン-16α-カルボン酸メチル]・塩酸塩YOHIMBE HCLYohimbe BarkYohimbine HCICorynante YohimbeYobinolTosanpinYohydrolGyniMbineMenolysin
200-600-4AntagonilAphrodine hydrochlorideYohimbine monohydrochlorideYohimbin HClYohimbine (Hydrochloride)C21H27ClN2O3YOHIMBINE CHLORIDE
データベース識別子
- CAS
物性
構造計算による物性
- 極性表面積
- 65.6 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 4
- 回転可能結合数
- 2
- 重原子数
- 27
- 形式電荷
- 0
- 複雑度
- 555
実験および物理化学的性質
Animal DrugsFDA approved animal drugs -> Active ingredient
Collision Cross Section186 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 融点
- 288 · 288-290 °C (dec.)(lit.)
- 比旋光度
- 99 · 99 º (c=1%, H2O, dry subst)
- 屈折率
- 103 ° · 103 ° (C=1, H2O)
- 貯蔵温度
- Keep in dark place,Inert atmosphere,Room temperature
- 溶解性
- 2 O: · H2O: 10 mg/mL
- 外見
- 粉
- 色
- ホワイトからオフホワイト
- 水溶解度
- 2 O: · H2O: 10mg/mL
- Merck
- 14 · 14,10102
- InChIKey
- PIPZGJSEDRMUAW-VJDCAHTMSA-N
- SMILES
- N1C2=C(C=CC=C2)C2=C1[C@@]1(C[C@]3([C@](CC[C@@H]([C@@H]3C(OC)=O)O)([H])CN1CC2)[H])[H].[H]Cl |&1:9,11,12,15,16,r|
- LogP
- 2.201 · 2.201 (est)
- CAS データベース
- 65 · 65-19-0(CAS DataBase Reference)
- EPAの化学物質情報
- Yohimbine hydrochloride (65-19-0)
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
Danger
H300 (86.7%): Fatal if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 113 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationYohimbine hydrochloride: HSNO Approval: HSR003820 Approved with controls
Other Safety InformationIMAP assessments - Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, monohydrochloride, (16.alpha.,17.alpha.)-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 1 (86.7%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- ZG1015000
- ridadr
- UN 1544 6.1/PG 2
- hs_code
- 29339900
- risk_code
- 23/24/25-33-23/24
- hazard_code
- T
- safety_code
- 22-36/37/39-45-24/25
- hazard_class
- 6.1(a)
- packing_group
- II
- Hazard Classifications
- Acute Tox. 2 InhalationAcute Tox. 2 Oral
- ストレージクラス
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
化学と産業
薬理情報
MeSH Pharmacological Classification
Agents that dilate the pupil. They may be either sympathomimetics or parasympatholytics.
Drugs that bind to and block the activation of ADRENERGIC ALPHA-2 RECEPTORS.
Drugs used in the treatment of urological conditions and diseases such as URINARY INCONTINENCE and URINARY TRACT INFECTIONS.
用途と製造
UsesUse (kg; approx.) in Germany (2009): >10
General Manufacturing InformationYohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, hydrochloride (1:1), (16.alpha.,17.alpha.)-: ACTIVE
応用分野
用途薬理研究用。
使用Yohimbine hydrochloride is an Indole alkaloid with α2-adrenergic blocking activity. It is an alpha adrenergic blocker, mydriatic, antidepressant that used in the treatment of neurological disorders and erectile dysfunction.
使用Yohimbine hydrochloride is an α2-adrenergic receptor antagonist. It blocks the central α2-adrenegic receptors in the brain, thus preventing and reducing the effects of xylazine, an α2-adrenergic agonist. The sedative effects and respiratory depression that accompany xylazine administration are both antagonized and reversed by yohimbine. Yohimbine hydrochloride also produces an antidiuretic effect, and increases heart rate and blood pressure.
一般的な説明Yohimbine hydrochloride is an indole alkaloid derived from the tree bark. It is an antagonist of α2-adrenergic receptors in the brain, reducing the effects of xylazine, which is an α2-adrenergic agonis.
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