化工社化工社 化学情報印刷レポート · 研究参考用
グバコリン塩酸塩
グバコリン塩酸塩 · Guvacoline hydrochloride · Norarecoline hydrochloride · Guvacoline HCl · methyl 1,2,3,6-tetrahydropyridine-5-carboxylate,hydrochloride · Methyl 1,2,5,6-Tetrahydropyridine-3-carboxylate Hydrochloride · mAChR,Inhibitor,Guvacoline hydrochloride,Guvacoline,inhibit,Muscarinic acetylcholine receptor
識別子と物理属性
| CAS No. | 6197-39-3 |
|---|---|
| 分子式 | C7H12ClNO2 |
| 平均分子量 | 177.63 g/mol |
| 単同位体質量 | 177.0556563 g/mol |
| SMILES | COC(=O)C1=CCCNC1.Cl |
| InChIKey | ZWALOEQHJRUTKM-UHFFFAOYSA-N |
| PubChem CID | 201540 |
| EC No. | 854-692-1 |
| DTXSID | DTXSID10210996 |
| 現地名 | グバコリン塩酸塩 |
化学・物理的性質
| 極性表面積 | 38.3 |
|---|---|
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 2 |
| 重原子数 | 11 |
| 形式電荷 | 0 |
| 複雑度 | 163 |
| 融点 | 121-122 °C |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 溶解度 | DMSO |
| 外観・状態 | 個体 |
| 色 | ライトイエロー |
| 主な用途 | 食品および飲料医薬品 |
| InChI | InChI=1S/C7H11NO2.ClH/c1-10-7(9)6-3-2-4-8-5-6/h3,8H,2,4-5H2,1H3 |
| InChIKey | ZWALOEQHJRUTKM-UHFFFAOYSA-N |
| SMILES | C1NCCC=C1C(OC)=O.[H]Cl |
安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 水環境危害等級（WGK） | WGK 3 |
| 危険等級 | Acute Tox. 4 Oral |
| 貯蔵分類 | 11 - Combustible Solids |
用途
使用
Guvacoline Hydrochloride is an intermediate in the synthesis of N-Nitrosoguvacoline (N527625), one of the N-nitrosation products of arecoline. It is the only one N-nitrosamine found in Taiwanese betel quid chewing saliva. It is used as a standard for the determination of Nitrosamine in tobacco smoke.