기본 정보
- CAS
2141-09-5- 표준 SMILES
COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3- InChIKey
YLRXAIKMLINXQY-ZDUSSCGKSA-O- 분자식
- C20H24NO4+
- 평균 분자량
- 342.4 g/mol
- 단동위원소 질량
- 342.17053325
개요
(S)-magnoflorine is an aporphine alkaloid that is (S)-corytuberine in which the nitrogen has been quaternised by an additional methyl group. It has a role as a plant metabolite. It is an aporphine alkaloid and a quaternary ammonium ion. It is functionally related to a (S)-corytuberine.
이름 및 식별자
- 우선 이름
- (+)-Magnoflorine
- IUPAC
- (6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,11-diol
- 영어명
- (+)-MAGNOFLORINE IODIDE
- 분자식
- C20H24INO4
- 분자량
- 469.31
이름 및 동의어
Magnoflorine2141-09-5(+)-MagnoflorineEscholineEscholinThalictrineDTXSID90943972NI8K6962K4(6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,11-diol(6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-6-ium-1,11-diol(6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinoline-6-ium-1,11-diol(6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-ium-1,11-diol
이름 더 보기
Aporphine alkaloidEsholineAids002649Magflorine
RefChem:42755DTXCID601372329Thalictrin(S)-magnoflorine(+)-Magnoflorine IodideMFCD09031380(6aS)-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoliniumMAGNOFLORINE [MI]
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 58.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 25
- 형식 전하
- 1
- 복잡도
- 498
물리화학적 성질
- 녹는점
- 252 ℃ · 252℃
- 저장 조건
- 2 · 2-8°C(protect from light)
- 용해도
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- 물리적 상태
- 가루
- 주요 응용
- 대사체학비타민, 기능성 식품 및 천연 제품
- InChI
- 1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1
- InChIKey
- YLRXAIKMLINXQY-ZDUSSCGKSA-O
- SMILES
- OC1=C(OC)C=C2CC[N+](C)(C)[C@@]3([H])CC4=CC=C(OC)C(O)=C4C1=C32
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- WGK 3
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요A wide variety of species contain this quaternary alkaloid which is widespread among the families, Aquilegia, Magnolia and Michelia. It has been isolated and characterized as the iodide, m.p. 248-9°C (dec.); [0:11>5 + 200.1° (MeOH). The optically inactive base also yields an iodide which crystallizes with 1.5 H20, m.p. 243°C (dec.).
공급사100 곳
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