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(+-)-Dimethindene

HCID 21855
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
5636-83-9
표준 SMILES
CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1
InChIKey
MVMQESMQSYOVGV-UHFFFAOYSA-N
분자식
C20H24N2
평균 분자량
292.4 g/mol
단동위원소 질량
292.19394877

개요

Dimetindene is an indene.

이름 및 식별자

우선 이름
(+-)-Dimethindene
IUPAC
N,N-dimethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine
영어명
DIMETHINDENE
분자식
C20H24N2
분자량
292.42

이름 및 동의어

DIMETHINDENEDimetindene5636-83-9DimethpyrindeneForhistalDimetindenoDimetindenumFeniallergN,N-dimethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine2-(1-(2-(2-Dimethylaminoethyl)inden-3-yl)ethyl)pyridinePyridine, 2-(1-(2-(2-(dimethylamino)ethyl)inden-3-yl)ethyl)-661FH77Z3P
이름 더 보기
Z2001TritenZ 2001Z-2001demethindene
1H-Indene-2-ethanamine, N,N-dimethyl-3-(1-(2-pyridinyl)ethyl)-DTXSID90229421H-Indene-2-ethanamine, N,N-dimethyl-3-[1-(2-pyridinyl)ethyl]-dimethyl(2-{3-[1-(pyridin-2-yl)ethyl]-1H-inden-2-yl}ethyl)amine2-(1-(2-(2-(DIMETHYLAMINO)ETHYL)INDEN-3-YL)ETHYL)PYRIDINEN,N-DIMETHYL-3-(1-(2-PYRIDINYL)ETHYL)-1H-INDENE-2-ETHANAMINEdimethyl(2-(3-(1-(pyridin-2-yl)ethyl)-1H-inden-2-yl)ethyl)amineN,N-dimethyl-2-(3-(1-pyridin-2-ylethyl)-1H-inden-2-yl)ethanamine

데이터베이스 식별자

CAS
5636-83-9
PubChem CID
21855
DTXSID
DTXSID9022942
ChEMBL
CHEMBL22108
ChEBI
CHEBI:135222
UNII
661FH77Z3P
EC Number
227-083-8
Nikkaji
J8.041A

물성

구조 계산 물성

XLogP
2.7
극성 표면적
16.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
5
무거운 원자 수
22
형식 전하
0
복잡도
399

실험 및 물리화학적 성질

DrugsPharmaceuticals
LogP2.7
Human DrugsPharmaceuticals
Physical DescriptionSolid

물리화학적 성질

녹는점
50 · 50 - 53°C
끓는 점
424.35 °C · 424.35°C (rough estimate)
밀도
1.0073 · 1.0073 (rough estimate)
굴절률
1.564 · 1.5640 (estimate)
저장 조건
Refrigerator, under inert atmosphere
용해도
클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체
산도 계수 (pKa)
9.58 · 9.58±0.28(Predicted)
색상
옅은 갈색에서 밝은 갈색까지
수용성
238.6 mg/L · 238.6mg/L(37℃)
InChI
InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3
InChIKey
MVMQESMQSYOVGV-UHFFFAOYSA-N
SMILES
C1C2=C(C=CC=C2)C(C(C2=NC=CC=C2)C)=C1CCN(C)C

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H315 (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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

화학 및 산업

약리 정보

ATC Code · 5건

R06AB03

R - Respiratory system

D - Dermatologicals

QR - Respiratory system

QD - Dermatologicals

Pharmacodynamics · 1건

Dimethindene occurs as a racemic mixture. The (S)-(+)-dimethindene is a potent M2-selective muscarinic receptor antagonist (with lower affinity for M1, M3, and M4 muscarinic receptors). The (R)-(-)-enantiomer is the eutomer (responsible for bioactivity) for histamine H1 receptor binding.

Mechanism of ActionDimethindene is a selective histamine H1 antagonist and binds to the histamine H1 receptor. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine.
MeSH Pharmacological Classification · 3건

Agents, usually topical, that relieve itching (pruritus).

Drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. Included here are the classical antihistaminics that antagonize or prevent the action of histamine mainly in immediate hypersensitivity. They act in the bronchi, capillaries, and some other smooth muscles, and are used to prevent or allay motion sickness, seasonal rhinitis, and allergic dermatitis and to induce somnolence. The effects of blocking central nervous system H1 receptors are not as well understood.

Agents that are used to treat allergic reactions. Most of these drugs act by preventing the release of inflammatory mediators or inhibiting the actions of released mediators on their target cells. (From AMA Drug Evaluations Annual, 1994, p475)

Cellular LocationsMembrane
Metabolite PathwaysDimetindene H1-Antihistamine Action

용도 및 제조

UsesUse (kg; approx.) in Germany (2009): >100
Use ClassificationPharmaceuticals

상·하류 제품 정보

상류 원료

2-[2-(디메틸아미노)에틸]-1-인다논페닐리튬2-에틸피리딘말레인산

공급사25 곳

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