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아이소메트헵텐

Isometheptene

HCID 22297
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
503-01-5
표준 SMILES
CNC(C)CCC=C(C)C
InChIKey
XVQUOJBERHHONY-UHFFFAOYSA-N
분자식
C9H19N
평균 분자량
141.25 g/mol
단동위원소 질량
141.15174961

개요

Isometheptene is a secondary amino compound.

이름 및 식별자

우선 이름
Isometheptene
IUPAC
N,6-dimethylhept-5-en-2-amine
현지명
아이소메트헵텐
영어명
isometheptene
분자식
C9H19N
분자량
141.256

이름 및 동의어

Isometheptene503-01-5OctanilIsonylOctin6-Methylamino-2-methylheptene5-Hepten-2-amine, N,6-dimethyl-IsometeptenoIsometheptenumMethyloctenylaminemethyl(6-methylhept-5-en-2-yl)amineN,6-Dimethyl-5-hepten-2-amine
이름 더 보기
아이소메트헵텐아이소메트헵텐및그염류OctonOctineMidridOctinum
N,1,5-Trimethyl-4-hexenylamine2-Methyl-6-methylamino-2-heptene4-Hexenylamine, N,1,5-trimethyl-Y7L24THH6TDTXSID9023172isometepteneRefChem:149544DTXCID403172

데이터베이스 식별자

CAS
503-01-5
PubChem CID
22297
DTXSID
DTXSID9023172
ChEMBL
CHEMBL1697841
ChEBI
CHEBI:134765
UNII
Y7L24THH6T
EC Number
207-959-6
Nikkaji
J77.677G

물성

구조 계산 물성

XLogP
2.5
극성 표면적
12 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
4
무거운 원자 수
10
형식 전하
0
복잡도
101

실험 및 물리화학적 성질

Human DrugsPharmaceuticals
Physical DescriptionSolid

물리화학적 성질

끓는 점
176 · bp 176-178°; bp7 58-59°
밀도
0.795 · 0.795
증기압
1.39 hPa · 1.39hPa at 25℃
굴절률
15 · nD15 1.4472
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
10.78 · 10.78±0.10(Predicted)
물리적 상태
기름
색상
무색~담황색
수용성
3.06 g/L · 3.06g/L at 25℃
LogP
3.03 at · 3.03 at 20℃
EPA
5 · 5-Hepten-2-amine, N,6-dimethyl- (503-01-5)

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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.

유해성 정보

Regulatory InformationREACH registered substance: Isometheptene (EC: 207-959-6)
Other Safety InformationIMAP assessments - 5-Hepten-2-amine, N,6-dimethyl-: Environment tier I assessment
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

tsca
TSCA listed
기존화학 물질
KE-11440

화학 및 산업

약리 정보

ATC Code · 2건

A - Alimentary tract and metabolism

QA - Alimentary tract and metabolism

Pharmacodynamics · 1건

Isometheptene Mucate is an indirect-acting sympathomimetic. Due to its vasoconstricting properties, Isometheptene Mucate is used for the treatment of acute migraine attacks, usually in combination with other analgeics. It can also displace catecholamines from vesicles inside the neuron leading to the sympathetic responses it is known for.

Mechanism of Action · 1건

Isometheptene's vasoconstricting properties arise through activation of the sympathetic nervous system via epinephrine and norepinephrine (or their molecular analogues as is the case with this drug). These compounds elicites smooth muscle activation leading to vasoconstriction. These compounds interact with cell surface adrenergic receptors. Such stimuli result in a signal transduction cascade that leads to increased intracellular calcium from the sarcoplasmic reticulum through IP3 mediated calcium release, as well as enhanced calcium entry across the sarcolemma through calcium channels. The rise in intracellular calcium complexes with calmodulin, which in turn activates myosin light chain kinase. This enzyme is responsible for phosphorylating the light chain of myosin to stimulate cross bridge cycling. Once elevated, the intracellular calcium concentration is returned to its basal level through a variety of protein pumps and calcium exchangers located on the plasma membrane and sarcoplasmic reticulum. This reduction in calcium removes the stimulus necessary for contraction allowing for a return to baseline. The drug can also cause vesicular displacement of noradrenaline from the neuron into the synapse with a similar effect as tyramine.

Cellular LocationsCytoplasm

용도 및 제조

Use ClassificationPharmaceuticals
General Manufacturing Information5-Hepten-2-amine, N,6-dimethyl-: ACTIVE

관련 반응

3건
반응 기록 만들기
HRID 1477097 반응식
HRID 1477097반응물로uspto-grants-2016_08
HRID 1477098 반응식
HRID 1477098반응물로uspto-grants-2016_08
HRID 1477102 반응식
HRID 1477102반응물로uspto-grants-2016_08

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
응용 분야 · 1건

용도6-Methylamino-2-methylheptene is an intermediate for the synthesis of Isometheptene Maleate (I821325), which belongs to a group of sympathomimetic amine and shows very little antihypertensive activity. Isometheptene Maleate is used as an antispasmodic drug.

상·하류 제품 정보

상류 원료

알루미늄분1-헵텐시트랄메틸(2-)-2-헵텐-6-온메틸아민

공급사5 곳

艾吉析科技(上海)有限公司17717235263 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]