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Lactoyl-CoA
Venetoclax
Cryptolepine
10001-82-8
Cefepime Impurity A
chem960
1189481-51-3
Elacridar-d4 (Major) | 1189481-51-3
Product Name:Elacridar-d4 (Major)
CAS No:
1189481-51-3
MF:C34H33N3O5
MW:563.64292
CID:1061956
PubChem ID:
46781443
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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)
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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
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Elacridar
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143664-11-3
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Elacridar
CAS No.:
143664-11-3
4-Acridinecarboxamide,N-[4-[3-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)propoxy]phenyl]-9,10-dihydro-9-oxo-
CAS No.:
143664-16-8
4-Acridinecarboxamide,N-[4-[3-(3,4-dihydro-2(1H)-isoquinolinyl)propoxy]phenyl]-9,10-dihydro-9-oxo-
CAS No.:
143665-25-2
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