2580-88-3 (1H-吲哚并[3,2,1-de]吡啶并[3,2,1-ij][1,5]萘啶-12(5H)-酮,13a-乙基-2,3,6,13,13a,13b-六氢-(13aR,13bR)-rel-,1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-12(5H)-one,13a-ethyl-2,3,6,13,13a,13b-hexahydro-, (13aR,13bR)-rel-)

CAS号:
2580-88-3
中文名称:
1H-吲哚并[3,2,1-de]吡啶并[3,2,1-ij][1,5]萘啶-12(5H)-酮,13a-乙基-2,3,6,13,13a,13b-六氢-(13aR,13bR)-rel-
英文名称:
1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-12(5H)-one,13a-ethyl-2,3,6,13,13a,13b-hexahydro-, (13aR,13bR)-rel-
分子式:
C19H22N2O
分子量:
294.390784740448

1H-吲哚并[3,2,1-de]吡啶并[3,2,1-ij][1,5]萘啶-12(5H)-酮,13a-乙基-2,3,6,13,13a,13b-六氢-(13aR,13bR)-rel-(2580-88-3)名称与标识符

名称

英文别名:
1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-12(5H)-one,13a-ethyl-2,3,6,13,13a,13b-hexahydro-, (13aR,13bR)-rel-;(?à)-Eburnamonine;(?à)-Vincamone;1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine, eburnamenin-14(15H)-onederiv.;dl-Eburnamonine;Eburnamenin-14(15H)-one,(?à)- (9CI);Vincanorine (7CI);Vinburnine;UNII-G54D0HMY25;KBioSS_000859;GTPL345;CHEMBL1892145;Eburnamenin-14(15H)-one, (3a,16a)-;NCI322920;BSPBio_000514;CS-4789;(-)-Eburnamonine;Vinburnine, (+/-)-;KBio2_005995;NSC322920;Spectrum_000379;(+/-)-Vincamone;Vinburnina;VINBURNINE [MART.];EINECS 225-490-5;D08676;NCGC00262533-02;4880-88-0;Spectrum4_000751;64UB2942IE;Vinburnine [INN];BSPBio_002877;NINDS_000411;NCI60_002800;(-)-Vincamone;NSC 322920;MLS000758467;3.alpha.,16.alpha.-eburnamonine;Vinburninum [INN-Latin];Vinburnina [INN-Spanish];Vincanorine;Prestwick2_000607;(3alpha,16alpha)-Eburnamenin-14(15H)-one, Vincamone];CAS-4880-88-0;Vincamona;DTXCID4025119;AC-26459;(-)-Eburnamonina [Spanish];ACon1_000004;KBio1_000411;Prestwick0_000607;Vinburninum;Tox21_110060_1;cis-Vincamone;G54D0HMY25;(3-alpha,16-alpha)-Eburnamin-14(15H)-one;A871877;Eburnamonine (-)-form;C09149;SCHEMBL456385;DivK1c_000411;s5681;KBioGR_001102;(3alpha,16alpha)-Eburnamenin-14(15H)-one;(-)-Eburnamonina;Eburnamenin-14(15H)-one, (+/-)-;HMS501E13;NCIStruc2_000870;VINBURNINE [WHO-DD];BPBio1_000566;(41S,13aS)-13a-Ethyl-2,3,5,6,13,13a-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-12(41H)-one;MLS002153906;BRD-K40227168-001-06-1;DB13793;3alpha,16alpha-Eburnamonine;(+/-)-Eburnamonine;(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-one;KBio2_000859;HMS3713J16;CH-846;BCP02373;HMS2096J16;FD10193;NCGC00014750-02;3-alpha,16-alpha-Eburnamonine;SMR001233255;NCGC00262533-03;Eburnamonine (+/-)-form [MI];NCIStruc1_000941;2580-88-3;Eburnal ritardo;CCG-36740;Eburnal;SPBio_002733;AKOS015896486;BRD-K40227168-001-03-8;HY-B1180;Spectrum2_001504;MEGxp0_001871;NSC-322920;Prestwick_189;Cervoxan (TN);EBURNAMONINE (-)-FORM [MI];Spectrum5_000938;DTXSID6045119;Vincamone;(31S,6aS)-6a-ethyl-31,4,5,6,6a,7-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-8(2H)-one;KBio2_003427;HMS2233K13;NS00003481;Prestwick3_000607;UNII-64UB2942IE;BS-16859;Eburnalritardo;CHEBI:4740;Eburnamonine (-);KBio3_002377;Q2526386;l-Eburnamonine;Spectrum3_001199;Tox21_110060;HMS1569J16;CH 846;Vincamona [Spanish];Eburnamin-14(15H)-one, (3-alpha,16-alpha)-;Vinburnine (INN);SBI-0051740.P002;eburnamonine;SPBio_001547;Prestwick1_000607;IDI1_000411;

标识符

InChIKey:
WYJAPUKIYAZSEM-MOPGFXCFSA-N
Inchi:
1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18-,19+/m1/s1
SMILES:
O=C1C[C@]2(CC)CCCN3CCC4C5C=CC=CC=5N1C=4[C@@H]32

1H-吲哚并[3,2,1-de]吡啶并[3,2,1-ij][1,5]萘啶-12(5H)-酮,13a-乙基-2,3,6,13,13a,13b-六氢-(13aR,13bR)-rel-(2580-88-3)物化性质

实验特性

  • 熔点 : 201-202.5°

计算特性

  • 精确分子量 : 294.173213330g/mol
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 1
  • 同位素质量 : 294.173213330g/mol
  • 重原子数量 : 22
  • 复杂度 : 492
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 3
  • 拓扑分子极性表面积 : 25.2Ų

1H-吲哚并[3,2,1-de]吡啶并[3,2,1-ij][1,5]萘啶-12(5H)-酮,13a-乙基-2,3,6,13,13a,13b-六氢-(13aR,13bR)-rel-(2580-88-3)相关文献