443919-33-3 ((4-amino-2-(2,6-dioxo-3-piperidyl)isoindole-1,3-dione)

CAS号:
443919-33-3
英文名称:
4-amino-2-(2,6-dioxo-3-piperidyl)isoindole-1,3-dione
分子式:
C13H11N3O4
分子量:
273.244142770767

4-amino-2-(2,6-dioxo-3-piperidyl)isoindole-1,3-dione(443919-33-3)名称与标识符

名称

中文别名:
泊马度胺;
英文别名:
4-amino-2-(2,6-dioxo-3-piperidyl)isoindole-1,3-dione;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;DA-21486;DB08910;NSC-775351;SCHEMBL19250920;POMALIDOMIDE [ORANGE BOOK];NCGC00346551-01;SB16552;3-Amino-N-(2,6-dioxo-3-piperidyl)phthalimide;4-amino-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione;CS-0165;IMiD 3;CFC83849;CCG-264684;POMALIDOMIDE [INN];Pomalidomida;s1567;C13H11N3O4;BP164278;POMALIDOMIDE [EMA EPAR];MFCD12756407;Pomalyst;SMR004703012;Pomalidomide;4-amino-2-(2,6-dioxo(3-piperidyl))isoindoline-1,3-dione;3-amino-N-(2,6-dioxo-3-piperidyl)phthalamide;POMALIDOMIDE [MI];4-Amino-2-((3RS)-2,6-dioxopiperidin-3-yl)-2H-isoindole-1,3-dione;443919-33-3;D2UX06XLB5;NCGC00346551-03;3-(3-AMINO)-PHTALAMIDO-GLUTARIMIDE;POMALIDOMIDE [JAN];MLS006011261;Pomalidomide [USAN:INN];DTXCID801323473;BCP02890;CC4047;s-3-amino-phthalimido-glutarimide;AKOS013400288;CHEBI:72690;HSDB 8222;Pomalidomid;AC-26970;UVSMNLNDYGZFPF-UHFFFAOYSA-N;D08976;L04AX06;SR-01000941573-1;Pomalyst (TN);GTPL7348;4-Amino-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione;3-Aminophthalimidoglutarimide;4-Amino-2-(2,6-dioxo-3-piperidinyl)isoindole-1,3-dione;pomalidomidum;HMS3655G05;DTXSID40893458;BP-24477;J-012392;Z1269642575;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione;Pomalidomide, >=98% (HPLC);BCP09107;NSC775351;3-aminio-phthalimido-glutarimide;POMALIDOMIDE [VANDF];HY-10984;CHEMBL43452;POMALIDOMIDE [WHO-DD];4-Aminothalidomide;1,3-dioxo-2-(2,6-dioxopiperidin-3-yl)-4-aminoisoindoline;HMS3744K07;4-amino-2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione;POMALIDOMIDE [USAN];SR-01000941573;19171-19-8;IMID-4047;CC-4047;Pomalidomide?;4-AMINO-2-((3RS)-2,6-DIOXOPIPERIDIN-3-YL)-1H-ISOINDOLE-1,3(2H)-DIONE;CDC-394;Actimid;AS-17905;BCP0726000263;Imnovid;SCHEMBL369172;Pomalidomide- Bio-X;SW218099-2;AB01565777_02;BDBM65456;P2074;Pomalidomide (JAN/USAN/INN);EN300-317097;UNII-D2UX06XLB5;IMiD1;Phthalimide, 3-amino-N-(2,6-dioxo-3-piperidyl)-;IMID-3;4-Amino-2-[(3RS)-2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione;1H-Isoindole-1,3(2H)-dione, 4-amino-2-(2,6-dioxo-3-piperidinyl)-;CC 4047;NSC-767909;J-514302;NSC767909;AM9718;SY054807;Q7227206;

标识符

InChIKey:
UVSMNLNDYGZFPF-UHFFFAOYSA-N
Inchi:
1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)
SMILES:
O=C1C(CCC(N1)=O)N1C(C2C=CC=C(C=2C1=O)N)=O

4-amino-2-(2,6-dioxo-3-piperidyl)isoindole-1,3-dione(443919-33-3)物化性质

实验特性

  • LogP : 0.51790
  • PSA : 109.57000
  • 折射率 : 1.691
  • 沸点 : 582.9°Cat760mmHg
  • 闪点 : 306.3°C
  • 密度 : 1.57

计算特性

  • 精确分子量 : 273.075
  • 氢键供体数量 : 2
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 1
  • 同位素质量 : 273.075
  • 重原子数量 : 20
  • 复杂度 : 504
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 1
  • 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) : 0.2
  • 拓扑分子极性表面积 : 110A^2

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