CAS 83915-83-7 Lisinopril dihydrate (HCID 5362118)

部分構造検索類似構造を探す

基本情報

CAS: 83915-83-7
標準SMILES: NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O.O.O
InChIKey: CZRQXSDBMCMPNJ-ZUIPZQNBSA-N
分子式: C21H35N3O7
平均分子量: 441.5 g/mol
単同位体質量: 441.24750046

概要

Lisinopril dihydrate is a hydrate. It has a role as an antihypertensive agent. It contains a lisinopril.

名称と識別子

優先名称: Lisinopril dihydrate
IUPAC: (2S)-1-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid;dihydrate
現地名: リシノプリル二水和物
英語名: Lisinopril Dihydrate
分子式: C21H33N3O6
分子量: 423.51

名称と別名

Lisinopril dihydrateDTXSID2045600DTXCID0025600LISINOPRIL DIHYDRATE [MI]LISINOPRIL DIHYDRATE [WHO-DD]N(2)-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-proline dihydrate(S)-1-(N(2)-(1-carboxy-3-phenylpropyl)-L-lysyl)-L-proline dihydrateN(2)-((1S)-1-carboxy-3-phenylpropyl)-L-lysyl-L-proline dihydrateRefChem:79936983915-83-7RenacorMFCD01698825

名称をさらに表示

リシノプリル二水和物1-[Nα-[(S)-1-カルボキシ-3-フェニルプロピル]-L-リジル]-L-プロリン二水和物リシノプリル水和物リシノプリル水和物 (JP17)N2-[(S)-3-フェニル-1-カルボキシプロピル]-L-Lys-L-Pro-OH・2水和物ラノリップリシノプリル・二水和物N2-[(S)-1-カルボキシ-3-フェニルプロピル]-L-Lys-L-Pro-OH・2水和物LisinoprilZestfilisinopriLLisinopril API(S) LisinoprilL-154826：MK-521LISINOPRIL HYDRATELisinopril99%AssayMK-521 (dihydrate)

Lisinopril (dihydrate)L-Proline, N2-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-, hydrate (1:2)L-Proline, N2-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-, dihydrate(S)-1-((S)-6-Amino-2-(((S)-1-carboxy-3-phenylpropyl)amino)hexanoyl)pyrrolidine-2-carboxylic acid dihydrateNCGC00017141-01CAS-83915-83-7Zestril (TN)(S)-Lisinopril

物性

構造計算による物性

極性表面積: 135 Å²
水素結合供与体数: 6
水素結合受容体数: 9
回転可能結合数: 12
重原子数: 31
形式電荷: 0
複雑度: 550

実験および物理化学的性質

Human DrugsBreast Feeding; Lactation; Milk, Human; Antihypertensive Agents; Angiotensin-Converting Enzyme Inhibitors; ACE Inhibitors; ACEIs

物理化学的性質

融点: 148 °C · 148 °C
比旋光度: 25405 · 25405 -120° (c = 1 in 0.25M pH 6.4 zinc acetate); 25436 -96° (c = 1 in 0.25M pH 6.4 zinc acetate)
屈折率: -45 ° · -45 ° (C=1, 0.25mol/L Zinc Acetate Buffer)
貯蔵温度: 2 · 2-8°C
溶解性: 2 O: · H2O: ≥10 mg/mL
外見: 個体
酸解離定数(Pka): 2.5 · 2.5, 4.0, 6.7, 10.1(at 25℃)
色: 白い
水溶解度: 2 O: · H2O: ≥10mg/mLDMSO: ~6.5mg/mL (with heating and sonicating)
Merck: 14 · 14,5516
安定性: 吸湿性
InChIKey: BAVDEDVBIHTHJQ-CFCOLZOMNA-N
SMILES: C(N1CCC[C@H]1C(=O)O)(=O)[C@H](CCCCN)N[C@H](C(=O)O)CCC1C=CC=CC=1.O |&1:5,10,17,r|
CAS データベース: 83915 · 83915-83-7(CAS DataBase Reference)
EPAの化学物質情報: 2 · L-Proline, N2-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-, hydrate (1:2) (83915-83-7)

安全と法規制

毒性情報

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

安全データ

wgk: 3
rtecs: TW3589990
hs_code: 2933995300
risk_code: 20/21/22
hazard_code: Xi,Xn
safety_code: 22-24/25-36
hazard_class: IRRITANT
Hazard Classifications: Repr. 1ASTOT RE 2
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野 · 3 件

用途高血圧の研究。

説明Lisinopril is an angiotensin converting enzyme inhibitor structurally related to enalaprilat. It is reportedly useful in the management of hypertension and congestive heart failure.

一般的な説明Lisinopril, 1-[N2-[S-1-carboxy-3-phenylpropyl]-L-lysyl]-L-proline dihydrate (Prinivil, Zestril), is alysine derivative of enalaprilat, the active metabolite ofenalapril. Like all ACE inhibitors, it is an active site-directedinhibitor of the enzyme, with the zinc ion used in an effectivebinding interaction at a stoichiometric ratio of 1:1. The pharmacologicaleffects of lisinopril are similar to those of captopriland enalapril.

上流・下流製品情報

上流原料

化合物ノート

読み込み中…

リシノプリル二水和物