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    首页 分子通 2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one;hydrochloride

    2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one;hydrochloride

    分子结构分类

    有机化合物 - 生物碱及其衍生物 - 钩吻生物碱
    中文名称
    ——
    中文别名
    ——
    英文名称
    2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one;hydrochloride
    英文别名
    ——
    2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one;hydrochloride化学式
    CAS
    ——
    化学式
    C20H23ClN2O2
    mdl
    ——
    分子量
    358.9
    InChiKey
    AVNIVHTXRYXBIV-UHFFFAOYSA-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)：
      2.45
    • 重原子数：
      25
    • 可旋转键数：
      1
    • 环数：
      6.0
    • sp3杂化的碳原子比例：
      0.55
    • 拓扑面积：
      41.6
    • 氢给体数：
      2
    • 氢受体数：
      3

    ADMET

    毒理性
    • 非人类毒性摘录
    美洲钩吻（黄茉莉），产自北美洲，含有钩吻碱和其他生物碱，已导致家畜中毒，尤其是牛。中毒动物表现出虚弱、协调能力丧失和抽搐。在火鸡中已发生严重损失。这些鸟变得嗜睡和迟钝，尝试行走时步履蹒跚，并且颈部肌肉失控。/美洲钩吻/
    GELSEMIUM SEMPERVIRENS (YELLOW JESSAMINE), OCCURRING IN NORTH AMERICA, CONTAINS GELSEMINE AND OTHER ALKALOIDS, & HAS BEEN RESPONSIBLE FOR POISONING OF STOCK, PARTICULARLY CATTLE. THE ANIMALS SHOW WEAKNESS, INCOORDINATION AND CONVULSIONS. ... SERIOUS LOSSES HAVE OCCURRED AMONG TURKEYS. THE BIRDS BECOME SLEEPY AND LETHARGIC, STAGGER WHEN THEY ATTEMPT TO WALK, AND LOSE CONTROL OF THE NECK MUSCLES. /GELSEMIUM SEMPERVIRENS/
    来源:Hazardous Substances Data Bank (HSDB)

    同类化合物

    钩吻绿碱 钩吻碱 钩吻定 胡曼素 4-去甲基-胡蔓藤碱乙 3-氯-4-甲基-6-苯基哒嗪 11-羟基兰金断肠草碱 (2R,19'E)-18'-去甲氧基-2-去氧代-17,17'-二脱氧-2,16':2,17-二氧基-1,17'-联(蓬莱葛属碱氧化吲哚) (2'S,3S,5'S,6'R,11'S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one (1'R,3S,5'S,6'S,8'R)-2'-Ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one gelsedine (2'S,3S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one N-Desmethoxyrankinidine 11-Hydroxyhumantenine Gelsemine, 1-methoxy- N-Methylhumantenirine (2'S,3S,6'S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one (1S,2S,4S,7Z,8S,9S)-7-ethylidene-1',6'-dimethoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one 14-deacetoxy-gelseoxazolidinine gelselegine ditert-butyl (1S,2R,4R,7S,8R)-2',6-dioxospiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-1',5-dicarboxylate 2,2,2-trichloroethyl (1'S,3S,4'R,6'S,7'S,8'R)-6'-ethylspiro[1,2-dihydroindole-3,2'-10-oxa-5-azatricyclo[5.3.1.04,8]undecane]-5'-carboxylate (1S,2R,4R,7S,8R)-5-benzylspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-1H-indole]-2',6-dione (2'S,3S,5'S,6'S,8'R,11'S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one (3S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one 2,2,2-trichloroethyl (1R,2S,4S,8R,9S)-7-ethyl-6'-methoxy-2'-oxospiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodec-6-ene-2,3'-1H-indole]-5-carboxylate (1R,2S,4S,7Z,8R,9S)-7-ethylidene-1',6'-dimethoxy-2'-oxospiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-5-carbaldehyde (2S,4S,6R,7R,8S)-6-ethyl-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2'-one (1S,2S,7Z,8R)-7-ethylidene-6'-hydroxy-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one (1R,7S,8R)-2-ethenyl-1'-methoxy-4-methylspiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2'-one (1S,2S,7Z,8R)-7-ethylidene-1',6'-dimethoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one (1'R,3S,8'R)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one 11-Hydroxyhumantenine (1'R,2'S,3S,5'S,6'S,8'S,11'S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one (1S,2S,5S,6S,7S,8R,11R)-2-ethenyl-1'-methoxy-4-methylspiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2',3-dione gelseziridine (1S,2S,7Z,8R)-7-ethylidene-1'-methoxy-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one (1R,2S,4S,7E,8S,9R)-7-ethylidene-1'-methoxy-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one Gelsemine hydrochloride 2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one;hydrochloride Gelsemine, monohydrochloride rankinidine (1'R,2'R,3R,5'R,6'R,8'R,11'R)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one (1'R,2'S,3R,5'R,6'R,8'R,11'R)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one (1'S,2'S,3S,5'S,6'S,8'S,11'S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one (1'S,2'S,3S,5'R,6'S,8'S,11'R)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one (1'S,2'S,3S,5'R,6'S,8'S,11'S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one (1'S,2'S,3S,5'S,6'S,8'S,11'R)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one 2,2,2-trichloroethyl (1'R,3R,4'S,6'R,7'R,8'S)-6'-ethyl-6-methoxyspiro[1,2-dihydroindole-3,2'-10-oxa-5-azatricyclo[5.3.1.04,8]undecane]-5'-carboxylate (1'S,3S,8'S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one

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