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    • 喹啉
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    首页 分子通 (4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;sulfuric acid;pentahydrate

    (4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;sulfuric acid;pentahydrate

    分子结构分类

    有机化合物 - 生物碱及其衍生物 - 吐根碱生物碱
    中文名称
    ——
    中文别名
    ——
    英文名称
    (4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;sulfuric acid;pentahydrate
    英文别名
    ——
    (4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;sulfuric acid;pentahydrate化学式
    CAS
    ——
    化学式
    C46H71N3O16S
    mdl
    ——
    分子量
    954.1
    InChiKey
    CAOTXMRGCZOEOT-WMPPQCHWSA-N
    BEILSTEIN
    ——
    EINECS
    ——
    • 物化性质
    • 计算性质
    • ADMET
    • 安全信息
    • SDS
    • 制备方法与用途
    • 上下游信息
    • 反应信息
    • 文献信息
    • 表征谱图
    • 同类化合物
    • 相关功能分类
    • 相关结构分类

    计算性质

    • 辛醇/水分配系数(LogP)：
      1.37
    • 重原子数：
      66
    • 可旋转键数：
      7
    • 环数：
      10.0
    • sp3杂化的碳原子比例：
      0.57
    • 拓扑面积：
      193
    • 氢给体数：
      10
    • 氢受体数：
      19

    同类化合物

    盐酸吐根酚碱 盐酸吐根碱 吐根碱氢溴酸盐 吐根碱氢溴酸盐 吐根碱 依米丁二盐酸盐水合物 依米丁 二盐酸吐根碱 九节碱 7',10,11-三甲氧基-1',2'-二去氢依米丁-6'-醇草酸盐(1:1) 2-[(6,7-二甲氧基-1,2,3,4-四氢异喹啉-1-基)甲基]-3-乙基-9,10-二甲氧基-2,3,4,6,7,11b-六氢-1H-吡啶并[2,1-a]异喹啉四水合物二盐酸盐 1',2'-二去氢-7',10,11-三甲氧基依米丁-6',9-二醇 (+)-吐根素二盐酸盐水合物 (1RS,2S,3R,11bR)-2-benzoyl-1-(3-ethyl-9,10-dimethoxy-4-oxo-1,3,4,6,7,11b-hexahydro-2H-benzo[a]quinolizin-2-ylmethyl)-6-7-dimethoxy-1,2-dihydroisoquinoline-1-carbonitrile (2SR,3RS,11bSR)-2-benzoyl-1-(3-ethyl-9,10-dimethoxy-4-oxo-1,3,4,6,7,11b-hexahydro-2H-benzo[a]quinolizin-2-ylmethyl)-6,7-dimethoxy-1,2-dihydroisoquinoline-1-carbonitrile 2'-N-(1''-deoxy-1''-β-D-fructopyranosyl)cephaeline 7'-O-demethylcephaeline 7′,10-dide-O-methylcephaeline 2′-(N-carboxy-β-alanyl)-tert-butyl emetine ester 7'-O-demethylisocephaeline N-Methyl-emetin Emetine (or isoemetine), dihydrochloride Emetine hydrobromide 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-(3-(o-anisyloxy)-2-hydroxypropyl)-1-isoquinolyl)methyl)-, dihydrochloride 2H-Benzo(a)quinolizine, 3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-((1,2,3,4-tetrahydro-6-isopentoxy-7-methoxy-1-isoquinolyl)methyl)-, phosphate (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;triiodobismuthane 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;hydron;dichloride 11b-epi-emetine 11b-epi-isoemetine (2S,3R,11bS)-2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;hydron;dibromide 1-[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-tert-butylsulfanylpropan-2-ol;hydron;dichloride Emetine, 2'-(3-(6-chloro-o-toluidino)-2-hydroxypropyl)-, trihydrochloride Emetine, 2'-(2-hydroxy-3-(4-methyl-1-piperazinyl)propyl)-, tetrahydrochloride 1-[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-(furan-2-ylmethylsulfanyl)propan-2-ol;hydron;dichloride 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-(3-(2-ethylhexyloxy)-2-hydroxypropyl)-1-isoquinolyl)methyl)-, dihydrochloride 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-(2-hydroxy-3-(1-methylpropylthio)propyl)-1-isoquinolyl)methyl)-, dihydrochloride, trihydrate 2H-Benzo(a)quinolizine, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-(3-(3,4-dimethoxycarbaniloylmethylthio)-2-hydroxypropyl)-1-isoquinolyl)methyl)-, dihydrochloride <2S-<2α(S*),3β,11β>>-9-benzyloxy-2-(6-benzyloxy-7-methoxy-1,2,3,4-tetrahydro-1-isoquinolyl)methyl-3-ethyl-1,3,4,6,7,11b-hexahydro-10-methoxy-2H-benzoquinolizine <2S-<2α(S*),3β,11β>>-3-ethyl-1,3,4,6,7,11b-hexahydro-9-hydroxy-2-(6-benzyloxy-7-methoxy-1,2,3,4-tetrahydro-1-isoquinolyl)methyl-10-methoxy-2H-benzoquinolizine <2S-<2α(R*),3β,11β>>-9-benzyloxy-2-(6-benzyloxy-7-methoxy-1,2,3,4-tetrahydro-1-isoquinolyl)methyl-3-ethyl-1,3,4,6,7,11b-hexahydro-10-methoxy-2H-benzoquinolizine Emetine, N-(1-carboxyprolyl)-, benzyl ester Emetine, 2'-(N-carboxyglycyl)-, tert-butyl ester Emetine dihydrobromide tetrahydrate 16,17-Dinoremetan, 1-ethyl-6',7',10,11-tetramethoxy-, dihydrochloride, (1-beta)-(+-)- 16,17-Dinoremetan, 1-methyl-6',7',10,11-tetramethoxy-, dihydrochloride, (1-alpha,2-alpha)-(+-)- 16,17-Dinoremetan, 1-methyl-6',7',10,11-tetramethoxy-, dihydrochloride, (1-beta)-(+-)- 16,17-Dinoremetan, 1',2'-didehydro-1-methyl-6',7',10,11-tetramethoxy-, dihydrochloride, (1-alpha)-(+-)- 16,17-Dinoremetan, 1',2'-didehydro-1-methyl-6',7',10,11-tetramethoxy-, dihydrochloride, (1-beta)-(+-)- 16,17-Dinoremetan, 1-methyl-6',7',10,11-tetramethoxy-, dihydrochloride, (1-alpha)-(+-)- 16,17-Dinoremetan, 1',2'-didehydro-1-methyl-6',7',10,11-tetramethoxy-, dihydrochloride, (1-alpha,2-alpha)-(+-)-

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