基本情報
- CAS
67812-42-4- 標準SMILES
COc1ccc(CCNCCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC.Cl- InChIKey
OEAFTRIDBHSJDC-UHFFFAOYSA-N- 分子式
- C26H37ClN2O4
- 平均分子量
- 477 g/mol
- 単同位体質量
- 476.2441854
名称と識別子
- 優先名称
- Norverapamil Hydrochloride
- IUPAC
- 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-propan-2-ylpentanenitrile;hydrochloride
- 現地名
- (±)-ノルベラパミル 塩酸塩
- 英語名
- Norverapamil hydrochloride
- 分子式
- C26H37ClN2O4
- 分子量
- 477.04
名称と別名
Norverapamil hydrochloride67812-42-4MX5JX4YHL8RefChem:1092602Norverapamil, HydrochlorideNor Verapamil HydrochlorideNorverapamil (hydrochloride)2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-propan-2-ylpentanenitrile hydrochloride2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-propan-2-ylpentanenitrile;hydrochlorideNorverapamil HClBenzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)-, monohydrochloride(+/-)-Norverapamil (hydrochloride);D591 (hydrochloride)
名称をさらに表示
(±)-ノルベラパミル 塩酸塩D591 hydrochlorideVerapamil EP Impurity JVerapamil Impurity J HCl(+)Norverapamil hydrochloride(±)-Norverapamil hydrochloriden-nor-(±)-verapamil hydrochloride
Verapamil EP Impurity J HCl(+/-)-Norverapamil hydrochlorideOEAFTRIDBHSJDC-UHFFFAOYSA-NBenzeneacetonitrile, alpha-[3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]propyl]-3,4-dimethoxy-alpha-(1-methylethyl)-, monohydrochlorideMFCD00078605Ver apamil impurity JN-Desmethyl Verapamil HClC26H37ClN2O4
物性
構造計算による物性
- 極性表面積
- 72.7 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 6
- 回転可能結合数
- 13
- 重原子数
- 33
- 形式電荷
- 0
- 複雑度
- 577
物理化学的性質
- 融点
- 50 °C, · softens at 50°C, 155-160°C dec.
- 闪点
- 9 ℃ · 9℃
- 貯蔵温度
- desiccated
- 溶解性
- 2 O: · H2O: >10 mg/mL
- 外見
- 個体
- 色
- 白い
- 水溶解度
- 2 O: · H2O: 15mg/mL, clear
- 安定性
- 吸湿性
- InChI
- 1S/C26H36N2O4.ClH/c1-19(2)26(18-27,21-9-11-23(30-4)25(17-21)32-6)13-7-14-28-15-12-20-8-10-22(29-3)24(16-20)31-5;/h8-11,16-17,19,28H,7,12-15H2,1-6H3;1H
- InChIKey
- OEAFTRIDBHSJDC-UHFFFAOYSA-N
- SMILES
- CC(C)C(CCCNCCC1=CC=C(OC)C(OC)=C1)(C#N)C2=CC(OC)=C(OC)C=C2.Cl
- EPAの化学物質情報
- 3 · Benzeneacetonitrile, .alpha.-[3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]propyl]-3,4-dimethoxy-.alpha.-(1-methylethyl)-, hydrochloride (1:1) (67812-42-4)
化学的性質
化学的特性Off-White Crystalline Solid
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
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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. 3 (50%)
安全データ
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
応用分野
一般的な説明Norverapamil is a primary urinary metabolite of verapamil, a calcium channel blocker used in the treatment of hypertension, angina pectoris, and cardiac arrhythmia. Verapamil is also an effective preventive medication for migraines. This Certified Reference Material is applicable for use as starting material in calibrators or controls for verapamil testing methods by LC-MS/MS or GC-MS.
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