16-Epivincamine
기본 정보
- CAS
83508-82-1- 표준 SMILES
CC[C@@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32- InChIKey
RXPRRQLKFXBCSJ-NRSPTQNISA-N- 분자식
- C21H26N2O3
- 평균 분자량
- 354.4 g/mol
개요
16-epivincamine has been reported in Vinca minor and Tabernaemontana muricata with data available.
이름 및 식별자
- 우선 이름
- 16-Epivincamine
- IUPAC
- methyl (15R,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
- 영어명
- methyl (41S,12S,13aR)-13a-ethyl-12-hydroxy-2,3,41,5,6,12,13,13a-octahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate
- 분자식
- C21H26N2O3
- 분자량
- 354.45
이름 및 동의어
83508-82-116-EpivincamineVinpocetine Impurity J(3S,14S,16R)-VincamineMETHYL (41S,12S,13AR)-13A-ETHYL-12-HYDROXY-2,3,41,5,6,12,13,13A-OCTAHYDRO-1H-INDOLO[3,2,1-DE]PYRIDO[3,2,1-IJ][1,5]NAPHTHYRIDINE-12-CARBOXYLATEmethyl (15R,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate(41S,12S,13aR)-methyl 13a-ethyl-12-hydroxy-2,3,41,5,6,12,13,13a-octahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylateF19254(3S,14S,16R)-Vincamine; Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methyl ester, (3a,14ss)- (9CI); 1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine, eburnamenine-14-carboxylic acid deriv.; (-)-trans-Epivincamine; (3S,14S,16R)-Vincamine; (3a,14ss)-14,15-DihydrMETHYL(41S,12S,13AR)-13A-ETHYL-12-HYDROXY-2,3,41,5,6,12,13,13A-OCTAHYDRO-1H-INDOLO[3,2,1-DE]PYRIDO[3,2,1-IJ][1,5]NAPHTHYRIDINE-12-CARBOXYLATEVinpocetine-10Vincamine Impurity 12
이름 더 보기
Vinpocetine Impurity 10Vinpocetine EP Impurity J(41S,12S,13aR)-methyl 13a-Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methyl ester, (3α,14β)Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methyl ester, (3α,14β)- (9CI)methyl (41S,12S,13aR)-13a-ethyl-12-hydroxy-2,3,41,5,6,12,13,13a-octahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]phthyridine-12-carboxylate
데이터베이스 식별자
- CAS
83508-82-1- Nikkaji
- J543.541B
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 54.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 598
물리화학적 성질
- 끓는 점
- 508.9 · 508.9±50.0 °C(Predicted)
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.13 · 12.13±0.40(Predicted)
화학 및 산업
응용 분야
용도(3S,14S,16R)-Vincamine is a diastereomer of Vincamine (V314030) which is often used as a nootropic agent to combat the effects of aging, or in conjunction with other nootropics (such as piracetam) for a variety of purposes. Vincamine is a peripheral vasodilator that increases blood flow to the brain.
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