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(3R,4S)-1-(4-氟苯基)-3-[(3S)-3-(4-氟苯基)-3-羟基丙基]-4-[4-(苯甲氧基)苯基]-2-氮杂环丁酮 | 163222-32-0

(3R,4S)-1-(4-氟苯基)-3-[(3S)-3-(4-氟苯基)-3-羟基丙基]-4-[4-(苯甲氧基)苯基]-2-氮杂环丁酮结构式图片|163222-32-0结构式图片
(3R,4S)-1-(4-氟苯基)-3-[(3S)-3-(4-氟苯基)-3-羟基丙基]-4-[4-(苯甲氧基)苯基]-2-氮杂环丁酮
4’-O-Benzyloxy Ezetimibe
163222-32-0
C31H27F2NO3
499.5478
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:(3R,4S)-1-(4-氟苯基)-3-[(3S)-3-(4-氟苯基)-3-羟基丙基]-4-[4-(苯甲氧基)苯基]-2-氮杂环丁酮结构式
10577302
名称和标识符
MDL MFCD00937870
InChIKey KEYVFYMGVLFXQK-DYIKCSJPSA-N
Inchi 1S/C31H27F2NO3/c32-24-10-6-22(7-11-24)29(35)19-18-28-30(34(31(28)36)26-14-12-25(33)13-15-26)23-8-16-27(17-9-23)37-20-21-4-2-1-3-5-21/h1-17,28-30,35H,18-20H2/t28-,29+,30-/m1/s1
SMILES FC1C([H])=C([H])C(=C([H])C=1[H])N1C([C@]([H])(C([H])([H])C([H])([H])[C@@]([H])(C2C([H])=C([H])C(=C([H])C=2[H])F)O[H])[C@@]1([H])C1C([H])=C([H])C(=C([H])C=1[H])OC([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])=O
别名信息
- 中文别名 -
  • (3R,4S)-1-(4-氟苯基)-3-[(3S)-3-(4-氟苯基)-3-羟基丙基]-4-[4-(苯甲氧基)苯基]-2-氮杂环丁酮
  • (3R,4S)-1-(4-氟苯基)-3-[(3S)-3-(4-氟苯基)-3-羟丙基]-4-(4-苄氧苯基)-2-氮杂环丁酮
  • (3R,4S)-1-(4-氟苯基)-3-[(3S)-3-(4-氟苯基)-3-羟基丙基]-4-[4
  • (3R,4s)-1-(4-氟苯基)-3-[(3s)-3-(4-氟苯基)-3-羟基丙基]-4-[4-(苯基甲氧基)苯基]-2-氮杂啶酮
  • 2,3,4,5-四氯苯胺
  • 4'-O-苄基依泽替米贝
  • 4''-O-苄氧依折麦布
  • 靛玉红-3'-单肟
  • 靛玉红-3-单肟
  • 依折麦布 中间体-L
  • 依折麦布中间体2
  • 依替米贝中间体N
  • (3R,4S)-1-(4-氟苯基)-[3(S)-3-(4-氟苯基)-3-羟基丙基]-4-(4-卞氧苯基)-2-氮杂环丁烷酮
  • 1-(4-氟苯)-3-[(3S)-3-(4-氟苯)-3-羟基丙基]-4-[4-(苯甲氧基)苯基]-,(3R,4S)-2-氮杂环丁酮(依替米贝中间体)
  • 1-(4氟苯基)-3-[3-(4氟苯基)-3-羟丙基]-4-(4苄氧苯基)-2-氮杂环丁酮
  • 依折麦布苄基杂质
  • 依折麦布中级杂质
  • 依折麦布中间体6
  • 4'-O-苄氧依折麦布
  • 依泽替米贝杂质,EZ-IMP-8
  • 1-苯基-(3R-[3-(4-氟苯基-(3S-羟丙基]-(4S-(4-羟苯基-2-氮杂环丁酮
  • 1-苯基-(3R-[3-(4-氟苯基-(3S-羟丙基]-(4S-(4-羟苯基-2-氮杂环丁酮
- 英文别名 -
  • (3R,4S)-1-(4-Fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[4-(phenylmethoxy)phenyl]-2-azetidinone
  • 2-AZETIDINONE, 1-(4-FLUOROPHENYL)-3-[(3S)-3-(4-FLUOROPHENYL)-3-HYDROXYPROPYL]-4-[4-(PHENYLMETHOXY)PHENYL]-, (3R,4S)-
  • 1-(4-FLUOROPHENYL)-3-[(3S)-3-(4-FLUOROPHENYL)-3-HYDROXYPROPYL]-4-[4-(PHENYLMETHOXY)PHENYL]-, (3R,4S)- 2-AZETIDINONE
  • 4’-O-Benzyloxy Ezetimibe
  • 4'-O-Benzyloxy Ezetimibe
  • EZ-ETL
  • 2-Azetidinone,1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-[4-(phenylmethoxy)phenyl]-,[3R-[3a(S*),4b]]-
  • (3R,4S)-4-[(4-Benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-2-azetidinone
  • 1-(4-Fluorophenyl)-3(R)-[3-(4-fluorophenyl)-3(S)-hydroxypropyl]-4(S)-(4-benzyloxyphenyl)azetidin-2-one
  • ZTB-8
  • 4'-O-Benzyl EzetiMibe
  • EzetiMibe Benzyl IMpurity
  • Ezetimibe Impurity 14(Intermediate Impurity)
  • (3R,4S)-4-(4-(benzyloxy)phenyl)-1-(4-fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)azetidin-2-one
  • (3R,4S)-1-(4-Fluorophenyl)-3-[(3S)-3-(4-Fluorophenyl)-3-Hydroxypropyl]-4-[4-(Phenylmethoxy)phenyl]-Azetidinone
  • KEYVFYMGVLFXQK-DYIKCSJPSA-N
  • AK159959
  • 2-AZETIDINONE, 1-(4-FLUOROPHENYL)-3-[(3S)-3-(4-FLUOROPHENYL)-3-HYDROXYPROPYL]-4-[4-(PHENYLMETHOXY)PHENYL]-, (3R,4S
  • (3R,4S)-1-(4-Fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-phenylmethoxyphenyl)azet
  • 4’-O-Benzyloxy Ezetimibe
  • (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3(s)-hydroxypropyl]-4-(4-benzyloxyphenyl)-2-azetidinone
  • 163222-32-0
  • (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3(s)-hydroxypropyl]-4-(4-benzyloxyphenyl)-2-azetidinone
  • 4'-O-Benzyl Ezetimibe
  • 163222-32-0
  • (3R,4S)-1-(4-FLUOROPHENYL)-3-[(3S)-3-(4-FLUOROPHENYL)-3-HYDROXYPROPYL]-4-[4-(PHENYLMETHOXY)PHENYL]-2-AZETIDINONE
  • 4'-O-Benzyl Ezetimibe
  • AMY19257
  • (3R,4S)-1-(4-FLUOROPHENYL)-3-[(3S)-3-(4-FLUOROPHENYL)-3-HYDROXYPROPYL]-4-[4-(PHENYLMETHOXY)PHENYL]-2-AZETIDINONE
  • (3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
  • AMY19257
  • 1-(4-Fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[4-(phenylmethoxy)phenyl]-(3R,4S)-2-azetidinone
  • (3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
  • AC-8741
  • 1-(4-Fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[4-(phenylmethoxy)phenyl]-(3R,4S)-2-azetidinone
  • AKOS024464695
  • AC-8741
  • DTXSID101107850
  • AKOS024464695
  • (3R,4S)-4-(4-(Benzyloxy)phenyl)-1-(4-fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)azetidin-2-one
  • DTXSID101107850
  • 2-Azetidinone,1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[4-(phenylmethoxy)phenyl]-, (3R,4S)-
  • SCHEMBL2046587
  • (3R,4S)-4-(4-(Benzyloxy)phenyl)-1-(4-fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)azetidin-2-one
  • DS-9698
  • 2-Azetidinone,1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[4-(phenylmethoxy)phenyl]-, (3R,4S)-
  • (3R,4S)-4-(4-(benzyloxy)phenyl)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one
  • SCHEMBL2046587
  • CHEMBL173660
  • DS-9698
  • MFCD00937870
  • (3R,4S)-4-(4-(benzyloxy)phenyl)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one
  • CHEMBL173660
  • 1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[4-(phenylmethoxy)phenyl]-, (3R,4S)- 2-Azetidinone
  • CS-0140352
  • MFCD00937870
  • 1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[4-(phenylmethoxy)phenyl]-,(3R,4S)- 2-Azetidinone
  • 1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[4-(phenylmethoxy)phenyl]-, (3R,4S)- 2-Azetidinone
  • 4(S)-(4-Benzyloxyphenyl)-1-(4-fluorophenyl)-3(R)-[3-(4-fluorophenyl)-3(S)-hydroxypropyl]-azetidine-2-one
  • CS-0140352
  • C31H27F2NO3
  • 1-(4-fluorophenyl)-3(R)-(3(S)-(4-fluorophenyl)-3-hydroxypropyl)-4(S)-(4-benzyloxyphenyl)-2-azetidinone
  • 1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[4-(phenylmethoxy)phenyl]-,(3R,4S)- 2-Azetidinone
  • 2-Azetidinone,1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[4-(phenylmethoxy)phenyl]-,(3R,4S)-
  • 4(S)-(4-Benzyloxyphenyl)-1-(4-fluorophenyl)-3(R)-[3-(4-fluorophenyl)-3(S)-hydroxypropyl]-azetidine-2-one
  • C73140
  • C31H27F2NO3
  • (3R,4S)-4-[4-(benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[(S)-3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one
  • 1-(4-fluorophenyl)-3(R)-(3(S)-(4-fluorophenyl)-3-hydroxypropyl)-4(S)-(4-benzyloxyphenyl)-2-azetidinone
  • 1-(4-F
  • 2-Azetidinone,1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[4-(phenylmethoxy)phenyl]-,(3R,4S)-
  • 1-Phenyl-3R-[3-(4-Fluorophenyl-3S-Hydroxypropyl]-4S-(4-Hydroxyphenyl-AzetidiN-2-One
  • C73140
  • (3R,4S)-4-[4-(benzyloxy)phenyl]-1-(4-fluorophenyl)-3-[(S)-3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one
  • 1-(4-F
  • 1-Phenyl-3R-[3-(4-Fluorophenyl-3S-Hydroxypropyl]-4S-(4-Hydroxyphenyl-AzetidiN-2-One
物化性质
实验特性
LogP 6.82670
PSA 49.77000
沸点 706.462°C at 760 mmHg
熔点 No date available
蒸气压 No date available
闪点 No date available
颜色与性状 No date available
密度 1.270
计算特性
精确分子量 499.19600
氢键供体数量 1
氢键受体数量 5
可旋转化学键数量 9
同位素质量 499.19590005g/mol
重原子数量 37
复杂度 707
同位素原子数量 0
确定原子立构中心数量 3
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) 5.8
拓扑分子极性表面积 49.8
专业数据库参考
PubChemId 10577302
参考资料
Reaxys RN
化合物详情(旧版)

SMILES

FC1=CC=C(C=C1)C(O)CCC2C(C3=CC=C(OCC4=CC=CC=C4)C=C3)N(C5=CC=C(F)C=C5)C2=O
 

物理化学性质

沸 点:706.462 °C at 760 mmHg
折 射 率:1.617
闪 光 点:706.462 °C at 760 mmHg
密 度:1.27g/cm3
外 观:灰白色固体

(3R,4S)-1-(4-氟苯基)-3-[(3S)-3-(4-氟苯基)-3-羟基丙基]-4-[4-(苯甲氧基)苯基]-2-氮杂环丁酮推荐生产厂家
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