기본 정보
- CAS
642-18-2- 표준 SMILES
COC(=O)C1=CO[C@@H](C)[C@@H]2Cn3ccc4c5ccccc5nc-4c3C[C@H]12- InChIKey
WYTGDNHDOZPMIW-RCBQFDQVSA-N- 분자식
- C21H20N2O3
- 평균 분자량
- 348.4 g/mol
- 단동위원소 질량
- 348.1473925
개요
Alstonine is an indole alkaloid with formula C21H20N2O3, isolated from several Rauvolfia species and exhibits antipsychotic activity. It has a role as an antipsychotic agent. It is a methyl ester, a zwitterion, an organic heteropentacyclic compound and an indole alkaloid. It is a conjugate base of an alstonine(1+).
이름 및 식별자
- 우선 이름
- Alstonine
- IUPAC
- methyl (15S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate
- 영어명
- Indole alkaloid
- 분자식
- C21H20N2O3
- 분자량
- 348.4
이름 및 동의어
ALSTONINE642-18-2SB0M27Q90XUNII-SB0M27Q90X3,4,5,6,16,17-Hexadehydro-16-(methoxycarbonyl)-19alpha-methyl-20alpha-oxayohimbanium(4S,4aS,14aS)-1-(methoxycarbonyl)-4-methyl-4a,5,14,14a-tetrahydro-4H-indolo[2,3-a]pyrano[3,4-g]quinolizin-6-ium-13-ideNCI60_041680C09028alstonin20alpha-Oxayohimbanium, 3,4,5,6,16,17-hexadehydro-16-(methoxycarbonyl)-19alpha-methyl-methyl (15S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylateAC1L9C1H
이름 더 보기
Aids002662Aids-0026623,4,5,6,16,17-Hexadehydro-16-(methoxycarbonyl)-19.alpha.-methyl-20.alpha.- oxayohimbaniumOxayohimbanium,3,4,5,6,16,17-hexadehydro-16-(methoxycarbonyl)-19-methyl-, inner salt, (19a,20a)-
ALSTONINE [MI]CHEBI:2612CHEMBL1187439SCHEMBL29363751Alstonine, hydroxide, inner saltWYTGDNHDOZPMIW-RCBQFDQVSA-NDTXSID201115727BDBM50480268
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 53.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 606
물리화학적 성질
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO에 용해됨
- 물리적 상태
- Solid
- 색상
- White to yellow
화학 및 산업
공급사27 곳
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
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