520-52-5 (塞洛西宾,1H-Indol-4-ol,3-[2-(dimethylamino)ethyl]-, 4-(dihydrogen phosphate))

CAS号:
520-52-5
中文名称:
塞洛西宾
英文名称:
1H-Indol-4-ol,3-[2-(dimethylamino)ethyl]-, 4-(dihydrogen phosphate)
分子式:
C12H17N2O4P
分子量:
284.248143911362
管制类

塞洛西宾(520-52-5)名称与标识符

名称

中文别名:
塞洛西宾;裸盖菇碱 标准品;
英文别名:
1H-Indol-4-ol,3-[2-(dimethylamino)ethyl]-, 4-(dihydrogen phosphate);Psilocybin;Psilocybin solution;psilocybine;PSILOCYBINE *;1H-Indol-4-ol, 3-[2-(dimethylamino)ethyl]-, dihydrogen phosphate;1H-Indol-4-ol, 3-[2-(dimethylamino)ethyl]-, dihydrogen phosphate (ester);3-(2-(Dimethylamino)e;3-[2-(Dimethylamino)ethyl]indol-4-ol dihydrogen phosphate ester;3-[2-(Dimethylamino)ethyl]indol-4-yl dihydrogen phosphate;Cy 39;Indocybin;Indol-4-ol, 3-(2-(dimethylamino)ethyl)-, dihydrogen phosphate;Indol-4-ol, 3-[2-(dimethylamino)ethyl]-, dihydrogen phosphate (ester);Psilocin phosphate ester;3-2'-Dimethylaminoethylindol-4-phosphate;Tox21_112898;Teonanacatl;Psilocybinum [INN-Latin];C07576;Psilocybin (1mg/ml in Acetonitrile);Psilocybin 1000 microg/mL in Acetonitrile:Water;3-(2-(Dimethylamino)ethyl)-1H-indol-4-ol dihydrogen phosphate ester;Psilocibina;P-7825;PSILOCYBINE [INN];UNII-2RV7212BP0;({3-[2-(dimethylamino)ethyl]-1H-indol-4-yl}oxy)phosphonic acid;4-Phosphoryloxy-omega-N,N-dimethyltryptamine;PSILOCYBIN [MI];QVDSEJDULKLHCG-UHFFFAOYSA-N;SCHEMBL158945;3-(2-Dimethylaminoethyl)indol-4-yl dihydrogen phosphate;NS00008179;1H-Indol-4-ol, 3-(2-(dimethylamino)ethyl)-, dihydrogen phosphate (ester);O-Phosphoryl-4-hydroxy-N,N-dimethyltryptamine;CY-39;Psilocybin (1.0mg/ml in Methanol);BDBM50171269;Psilotsibin;[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] dihydrogen phosphate;PSILOCYBINE [WHO-DD];HSDB 7365;Psilocibin;4-Phosphoryloxy-N,N-dimethyltryptamine;Psilocibina [INN-Spanish];Psilocybinum;Psylocybin;EINECS 208-294-4;(3-(2-(DIMETHYLAMINO)ETHYL)-1H-INDOL-4-YL) DIHYDROGEN PHOSPHATE;CHEBI:8614;PSILOCYBINE [MART.];CY39;3-[2-(Dimethylamino)ethyl]-1H-indol-4-yl dihydrogen phosphate;3-[2-(Dimethylamino)ethyl]-1H-indol-4-yl dihydrogen phosphate #;PSILOCYBINE [HSDB];NCGC00247732-01;DEA No. 7437;DTXSID0048898;BRN 0273158;PDSP2_001375;Psilocybine [INN:BAN:DCF];SB18760;Psilocybin, 1mg/ml in Acetonitrile/Water : 1/1;CAS-520-52-5;CHEMBL194378;4-22-00-05665 (Beilstein Handbook Reference);Q208118;2RV7212BP0;DB11664;Constituent of Magic mushrooms;520-52-5;DTXCID0028824;PDSP1_001391;Psilocybin (1mg/ml in 1:1 Acetonitrile:Water);

标识符

InChIKey:
QVDSEJDULKLHCG-UHFFFAOYSA-N
Inchi:
1S/C12H17N2O4P/c1-14(2)7-6-9-8-13-10-4-3-5-11(12(9)10)18-19(15,16)17/h3-5,8,13H,6-7H2,1-2H3,(H2,15,16,17)
SMILES:
P(=O)(O)(O)OC1=CC=CC2=C1C(=CN2)CCN(C)C

塞洛西宾(520-52-5)物化性质

实验特性

  • 熔点 : 220-2280C
  • 闪点 : 2℃

计算特性

  • 精确分子量 : 284.09259403g/mol
  • 氢键供体数量 : 3
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 5
  • 同位素质量 : 284.09259403g/mol
  • 重原子数量 : 19
  • 复杂度 : 347
  • 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 : 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) : -1.6
  • 拓扑分子极性表面积 : 85.8Ų

塞洛西宾(520-52-5)安全信息

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