기본 정보
- CAS
125-15-5- 표준 SMILES
CN1CC[C@]23C(=O)C[C@H]4C(=CCO[C@H]5CC(=O)N(c6c(O)cccc62)[C@H]3[C@H]54)C1- InChIKey
ZMTYENXGROJCEA-LNKPQSDASA-N- 분자식
- C22H24N2O4
- 평균 분자량
- 380.4 g/mol
- 단동위원소 질량
- 380.17360725
개요
Vomicine is a member of carbazoles.
이름 및 식별자
- 우선 이름
- Vomicine
- IUPAC
- (1S,10S,22R,23R,24S)-15-hydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14(19),15,17-tetraene-12,20-dione
- 영어명
- vomicine
- 분자식
- C22H24N2O4
- 분자량
- 380.44
이름 및 동의어
Vomicine125-15-5StrychnicineVomicin4R9445MB8M(1S,10S,22R,23R,24S)-15-hydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14(19),15,17-tetraene-12,20-dione12H-6a,4-(Ethaniminomethano)indolo[3,2,1-ij]oxepino[2,3,4-de]quinoline-6,12(2H)-dione, 4a,5,13,13a,13b,13c-hexahydro-10-hydroxy-16-methyl-, (4aR,6aS,13aS,13bR,13cS)-4-Hydroxy-19-methyl-16,19-secostrychnidine-10,16-dioneUNII-4R9445MB8M12H-6A,4-(ETHANIMINOMETHANO)INDOLO(3,2,1-IJ)OXEPINO(2,3,4-DE)QUINOLINE-6,12(2H)-DIONE, 4A,5,13,13A,13B,13C-HEXAHYDRO-10-HYDROXY-16-METHYL-, (4AR,6AS,13AS,13BR,13CS)-Vomicine (Standard)VOMICINE [MI]
이름 더 보기
C09255StruxineVomicine, 10 mM in DMSO12-Hydroxy-N-methylpseudostrychinine4-Hydroxy-19-methyl-16,19-secostrychinidine-10,16-dioneinhibit,Inhibitor,activity,Vomicine,alkaloid,antidiabetic
16,19-Secostrychnidine-10,16-dione, 4-hydroxy-19-methyl-orb1218991orb1297603SCHEMBL3371643CHEMBL2164625CHEBI:10019HY-N2616RDTXSID30154540
물성
구조 계산 물성
- XLogP
- -0.1
- 극성 표면적
- 70.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 766
물리화학적 성질
- 녹는점
- 286 · 286-290℃ (dec.)
- 끓는 점
- 508.07 °C · 508.07°C (rough estimate)
- 밀도
- 1.44 · 1.44±0.1 g/cm3 (20 ºC 760 Torr)
- 굴절률
- 1.65 · 1.6500 (estimate)
- 산도 계수 (pKa)
- 9.18 · 9.18±0.20(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
- InChIKey
- ZMTYENXGROJCEA-LNKPQSDASA-N
화학 및 산업
응용 분야
개요Schaefer has obtained this base from old seeds of Strychnos Nux-vomica which had deteriorated where is occurs to the extent of about 0.1 per cent. It forms colourless crystals from EtOH which become yellow on exposure to light. With H2S04 it gives a colourless solution that becomes green on the addition of potassium dichromate. From the available evidence it seems likely that it is not a true alkaloid but a decomposition product of either strychnine or brucine.
용도Vomicine is an antiplasmoidal alkaloid extracted from the stem bark of Strychnos malacoclados and is useful against malaria.
공급사68 곳
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