2,2,6,6-Tetramethylpiperidin-4-yl heptanoate

HCID 16079014
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基本情報

CAS
849461-91-2
標準SMILES
CCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1.Cl
InChIKey
XIDDVJIJIFWGIX-UHFFFAOYSA-N
分子式
C16H32ClNO2
平均分子量
305.9 g/mol
単同位体質量
305.21215694

概要

structure in first source

名称と識別子

優先名称
2,2,6,6-Tetramethylpiperidin-4-yl heptanoate
IUPAC
(2,2,6,6-tetramethylpiperidin-4-yl) heptanoate;hydrochloride
英語名
TMPH hydrochloride
分子式
C16H32ClNO2
分子量
305.89

名称と別名

DTXSID401017551TMPH cpdRefChem:898523DTXCID9014757382,2,6,6-tetramethylpiperidin-4-yl heptanoateTMPH hydrochloride849461-91-2TMPH (hydrochloride)2,2,6,6-Tetramethylpiperidin-4-yl heptanoate hydrochloridenAChR-IN-1 (hydrochloride)(2,2,6,6-tetramethylpiperidin-4-yl) heptanoate;hydrochlorideHeptanoic acid, 2,2,6,6-tetramethyl-4-piperidinyl ester, hydrochloride
名称をさらに表示
TMPH HClTMPH hydrochloride solid, (Product is pure based on CHN, NMR and MS results)
nAChR-IN-1 hydrochlorideorb1703973XIDDVJIJIFWGIX-UHFFFAOYSA-NEX-A6731ZIB46191Tox21_5007212,2,6,6-Tetramethyl-4-piperidinyl heptanoate hydrochloride (1:1)AKOS024457099

データベース識別子

CAS
849461-91-2
PubChem CID
16079014
DTXSID
DTXSID401017551
EC Number
635-895-2

物性

構造計算による物性

極性表面積
38.3 Ų
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
7
重原子数
20

物理化学的性質

貯蔵温度
2 · 2-8°C
溶解性
2 O: · H2O: 22mg/mL at~60℃
外見
個体
色
白い
水溶解度
2 O: · H2O: 22mg/mL at~60°C
InChI
1S/C16H31NO2.ClH/c1-6-7-8-9-10-14(18)19-13-11-15(2,3)17-16(4,5)12-13;/h13,17H,6-12H2,1-5H3;1H

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 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 CategoriesSkin Irrit. 2 (100%)

安全データ

wgk
3
risk_code
36/37/38-43
hazard_code
Xi
safety_code
26-36/37
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
ストレージクラス
11 - Combustible Solids

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

Drugs that bind to nicotinic cholinergic receptors (RECEPTORS, NICOTINIC) and block the actions of acetylcholine or cholinergic agonists. Nicotinic antagonists block synaptic transmission at autonomic ganglia, the skeletal neuromuscular junction, and at central nervous system nicotinic synapses.

応用分野

使用TMPH Hydrochloride is a potent inhibitor of neuronal AChRs. Therapeutic agent potentially used for the treatment of this progressive neurodegenerative disease such as globoid cell leukodystrophy (GLD) or Krabbe disease.

サプライヤー10 社

苏州景皓生物科技有限公司18136139868; 18136139868
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]

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