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엘리모클라빈

Elymoclavin

HCID 11051
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
548-43-6
표준 SMILES
CN1CC(CO)=CC2c3cccc4[nH]cc(c34)CC21
InChIKey
DAVNRFCJMIONPO-UHFFFAOYSA-N
분자식
C16H18N2O
평균 분자량
254.33 g/mol
단동위원소 질량
254.1419132

개요

Elymoclavin has been reported in Claviceps paspali and Claviceps purpurea with data available.

이름 및 식별자

우선 이름
Elymoclavin
IUPAC
(7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)methanol
현지명
엘리모클라빈
영어명
elymoclavine
분자식
C16H18N2O
분자량
254.33

이름 및 동의어

RefChem:1084077(7-methyl-6,6a,8,10a-tetrahydro-4H-indolo(4,3-fg)quinolin-9-yl)methanolElymoclavinErgoline-8-methanol, 8,9-didehydro-6-methyl-ElimoclavinDAVNRFCJMIONPO-UHFFFAOYSA-NNSC109431Ergoline-8-methanol,9-didehydro-6-methyl-(6-Methyl-8,9-didehydroergolin-8-yl)methanol #엘리모클라빈elymoclavine8,9-Didehydro-6-methylergoline-8-methanol
이름 더 보기
Ergoline-8-Methanol,8,9-didehydro-6-Methyl-

데이터베이스 식별자

CAS
548-43-6
PubChem CID
11051

물성

구조 계산 물성

XLogP
1.3
극성 표면적
39.3 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
19
형식 전하
0
복잡도
394

물리화학적 성질

녹는점
251 °C · 251°C (rough estimate)
끓는 점
397.54 °C · 397.54°C (rough estimate)
밀도
1.0398 · 1.0398 (rough estimate)
굴절률
1.624 · 1.6240 (estimate)
저장 조건
Amber Vial, Refrigerator, Under inert atmosphere
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨), 피리딘(약간 용해됨, 초음파 처리)
물리적 상태
고체
산도 계수 (pKa)
14 · 14+-.0.10(Predicted)
색상
흰색에서 황백색까지
안정성
감광성

안전 및 규제

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

독성 정보

Treatment · 1건

Treatment for ergotism consists of vasodilators, anticoagulants and low molecular weight dextrans. If necessary, a sympathetic nerve blockade may be carried out, such as brachial plexus blockade. Temporary sedation (e.g. haloperidol) will be necessary in hallucination and diazepam is used for convulsions. There is no specific antidote. (L1921)

Health EffectsIngestion of ergoline alkaloids is known to cause the disease ergotism. Ergotism occurs in two forms, gangrenous and convulsive, likely depending on the different kinds and amounts of ergoline alkaloids present. (A2913)
Exposure RoutesOral, dermal, inhalation, and parenteral (contaminated drugs). (A3101)
Toxicity Summary · 1건

Ergoline alkaloids tend to act as a group, producing complex and variable effects of partial agonism or antagonism at adrenergic, dopaminergic, and serotonergic receptors. Variables relating to these effects are influenced by the agent, dosage, species, tissue, physiological, and endocrinological state, and experimental conditions. In particular, ergoline alkaloids have been shown to have the significant affinity towards the 5-HT1 and 5-HT2 serotonin receptors, D1 and D2 dopamine receptors, and alpha-adrenergic receptors. This can result in a number of different effects, including vasoconstriction, convulsions, and hallucinations. (A2914, A2915, A2916)

Signs and Symptoms · 1건

Convulsive ergotism can cause painful seizures and spasms, diarrhea, paresthesias, itching, headaches, nausea and vomiting. Usually the gastrointestinal effects precede the central nervous system effects. As well as seizures there can be hallucinations and mental effects including mania or psychosis. Gangrenous ergotism causes dry gangrene as a result of vasoconstriction induced in the more poorly vascularized distal structures, such as the fingers and toes. Symptoms include desquamation, weak periphery pulse, loss of peripheral sensation, edema and ultimately the death and loss of affected tissues. (L1920)

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

화학 및 산업

용도 및 제조

UsesAgroclavine is a naturally occuring alkaloid of the ergoline family. Like other ergoline alkaloids, it occurs in various species of vines of the Convolvulaceae (morning glory) family and in some species of lower fungi. (L1918)

응용 분야

용도Elymoclavin is an ergot alkaloid in Morning Glory cultivars.

공급사4 곳

艾吉析科技(上海)有限公司17717235263 · [email protected]
中梦研(湖北)科技有限公司0717-6300888 18062399888 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

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