180916-16-9 (拉索昔芬,Lasofoxifene)

CAS号:
180916-16-9
中文名称:
拉索昔芬
英文名称:
Lasofoxifene
分子式:
C28H31NO2
分子量:
413.551247835159
简介:
拉索昔芬是一种化学物质,化学式为C28H31NO2,分子量为413.55。

拉索昔芬(180916-16-9)名称与标识符

名称

中文别名:
拉索昔芬;(5R,6S)-5,6,7,8-四氢-6-苯基-5-(4-(2-(1-吡咯烷基)乙氧基)苯基)-2-萘酚;埃替拉韦;拉索昔芬-D4;(5R,6S)-6-苯基-5-(4-(2-(吡咯烷-1-基)乙氧基)苯基)-5,6,7,8-四氢萘-2-醇;
英文别名:
Lasofoxifene;(5R,6S)-5,6,7,8-Tetrahydro-6-phenyl-5-(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-2-naphthalenol;CP-336,156;lasofoxifen;(5R,6S)-;Lasofoxifene Base;(5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]tetralin-2-ol;(5R,6S)-5,6,7,8-Tetrahydro-6-phenyl-5-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2-naphthalenol;(5R-cis)-5,6,7,8-Tetrahydro-6-phenyl-5-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2-naphthalenol;DTXSID50171037;Oporia;BCP0726000177;(-)-cis-5,6,7,8-Tetrahydro-6-phenyl-5-(p-(2-(1-pyrrolidinyl)ethoxy)phenyl)-2-naphthol.;(-)-cis-(5r,6s)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol;180915-78-0;2-Naphthalenol, 5,6,7,8-tetrahydro-6-phenyl-5-(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-, (5R,6S)-;HY-A0037;2-Naphthalenol, 5,6,7,8-tetrahydro-6-phenyl-5-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-, (5R,6S)-;2-Naphthalenol, 5,6,7,8-tetrahydro-6-phenyl-5-(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-, (5R-cis)-;180916-16-9;(5R,6S)-6-phenyl-5-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-5,6,7,8-tetrahydronaphthalen-2-ol.;Rel-(5R,6S)-6-phenyl-5-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;lasofoxifenum;cis-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol;LASOFOXIFENE [MI];EN300-18161169;GTPL7542;Lasofoxifene [INN:BAN];BDBM20606;cis-6-Phenvl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-ol;rac-Lasofoxifene;Q644675;CP 336156;UNII-337G83N988;AKOS030241621;(5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol;C3D;DB06202;LASOFOXIFENE [WHO-DD];cis-6Phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-ol;Lasofoxifene [INN];GXESHMAMLJKROZ-IAPPQJPRSA-N;J-011550;LASOFOXIFENE [MART.];BCP03626;cis-6-Phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-ol;CHEBI:135938;(-)-cis-5,6,7,8-Tetrahydro-6-phenyl-5-(p-(2-(1-pyrrolidinyl)ethoxy)phenyl)-2-naphthol;NCGC00487269-02;BCP9000842;CHEMBL328190;337G83N988;(5R,6S)-6-phenyl-5-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,6,7,8-tetrahydronaphthalen-2-ol;CS-0006740;(5R,6S)-6-phenyl-5-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-5,6,7,8-tetrahydronaphthalen-2-ol;lasofoxifeno;LASOFOXIFENE [EMA EPAR];NS00007417;SCHEMBL26815;DA-64874;(5R,6S)-rel-5,6,7,8-Tetrahydro-6-phenyl-5-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2-naphthalenol; cis-5,6,7,8-Tetrahydro-6-phenyl-5-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2-naphthalenol;;GLXC-15757;CP-336156;G92050;

标识符

InChIKey:
GXESHMAMLJKROZ-IAPPQJPRSA-N
Inchi:
1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1
SMILES:
O(C1C=CC(=CC=1)[C@@H]1C2C=CC(=CC=2CC[C@@H]1C1C=CC=CC=1)O)CCN1CCCC1

拉索昔芬(180916-16-9)物化性质

实验特性

  • LogP : 5.66660
  • PSA : 32.70000
  • 熔点 : 110-113°C
  • 溶解度 : Chloroform, Methanol (Sparingly)

计算特性

  • 精确分子量 : 413.23500
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 6
  • 同位素质量 : 413.235479232g/mol
  • 重原子数量 : 31
  • 复杂度 : 533
  • 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) : 6.1
  • 互变异构体数量 : 9
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 32.7Ų

拉索昔芬(180916-16-9)安全信息

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拉索昔芬(180916-16-9)参考资料

Reaxys RN:
PubChem CID: