TMPH염산염

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

HCID 16079014

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 849461-91-2
표준 SMILES: CCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1.Cl
InChIKey: XIDDVJIJIFWGIX-UHFFFAOYSA-N
분자식: C16H32ClNO2
평균 분자량: 305.9 g/mol
단동위원소 질량: 305.21215694

개요

structure in first source

이름 및 식별자

우선 이름: 2,2,6,6-Tetramethylpiperidin-4-yl heptanoate
IUPAC: (2,2,6,6-tetramethylpiperidin-4-yl) heptanoate;hydrochloride
현지명: TMPH염산염
영어명: TMPH hydrochloride
분자식: C16H32ClNO2
분자량: 305.89

이름 및 동의어

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

이름 더 보기

TMPH염산염TMPH 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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 38.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 7
무거운 원자 수: 20
형식 전하: 0
복잡도: 281

물리화학적 성질

저장 조건: 2 · 2-8°C
용해도: 2 O: · H2O: ~60 °C에서 22 mg/mL
물리적 상태: 고체
색상: 하얀색
수용성: 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
InChIKey: XIDDVJIJIFWGIX-UHFFFAOYSA-N
SMILES: Cl.CCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

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
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

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.

응용 분야

용도TMPH 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.

공급사10 곳

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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