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Elacridar-d4 (Major) | 1189481-51-3
1189481-51-3

Product Name:Elacridar-d4 (Major)

CAS No:1189481-51-3
MF:C34H33N3O5
MW:563.64292
CID:1061956
PubChem ID:46781443
Names and Identifiers
  • Elacridar-d4 (Major)
  • 5-methoxy-9-oxo-N-[4-[1,1,2,2-tetradeuterio-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-10H-acridine-4-carboxamide
  • Elacridar-d4
  • GG 918-d4
  • GW 0918-d4
  • N-{4-[2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(~2~H_4_)ethyl]phenyl}-5-methoxy-9-oxo-9,10-dihydroacridine-4-carboxamide
  • N-{4-[2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(~2~H_4_)ethyl]phenyl}-5-methoxy-9-oxo-9,10-dihydroacridine-4-carboxamide
  • 1189481-51-3
  • 1189481-51-3
  • DTXSID40675877
  • DTXSID40675877
  • 143664-11-3 (unlabeled)
  • 143664-11-3 (unlabeled)
  • InChIKey:OSFCMRGOZNQUSW-RCYYZLFTSA-N
  • InChIKey:OSFCMRGOZNQUSW-RCYYZLFTSA-N
  • Inchi:InChI=1S/C34H33N3O5/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38)/i14D2,16D2
  • Inchi:InChI=1S/C34H33N3O5/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38)/i14D2,16D2
  • SMILES:COC1=CC=CC2=C1NC3=C(C2=O)C=CC=C3C(=O)NC4=CC=C(C=C4)CCN5CCC6=CC(=C(C=C6C5)OC)OC
  • SMILES:COC1=CC=CC2=C1NC3=C(C2=O)C=CC=C3C(=O)NC4=CC=C(C=C4)CCN5CCC6=CC(=C(C=C6C5)OC)OC
Chemical and Physical Properties

Computed Properties

  • 精确分子量: 567.26700
  • 氢键供体数量: 2
  • 氢键供体数量: 2
  • 氢键受体数量: 7
  • 氢键受体数量: 7
  • 可旋转化学键数量: 8
  • 可旋转化学键数量: 8
  • 同位素质量: 567.26712815g/mol
  • 同位素质量: 567.26712815g/mol
  • 重原子数量: 42
  • 重原子数量: 42
  • 复杂度: 925
  • 复杂度: 925
  • 同位素原子数量: 4
  • 同位素原子数量: 4
  • 确定原子立构中心数量: 0
  • 确定原子立构中心数量: 0
  • 不确定原子立构中心数量: 0
  • 不确定原子立构中心数量: 0
  • 确定化学键立构中心数量: 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
  • 不确定化学键立构中心数量: 0
  • 共价键单元数量: 1
  • 共价键单元数量: 1
  • 疏水参数计算参考值(XlogP): 5.6
  • 疏水参数计算参考值(XlogP): 5.6
  • 拓扑分子极性表面积: 89.1Ų
  • 拓扑分子极性表面积: 89.1Ų

Experimental Properties

  • LogP: 5.57110
  • PSA: 92.89000
Related Products
Price Data Available
Brand:trc Supplier:TRC
No. Purity Stock Specification Price update time operate
E489002-10mg 0.0 10mg $ 1453.00 07 Sep. 2023
E489002-1mg 0.0 1mg $ 184.00 07 Sep. 2023
Brand:a2bchem Supplier:A2B Chem LLC
No. Purity Stock Specification Price update time operate
AE14221-10mg 3 weeks 10mg $1532.00 20 Apr. 2024
AE14221-1mg 3 weeks 1mg $300.00 20 Apr. 2024
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