主记录
Capadenoson
- CAS
- 544417-40-5
- PubChem CID
- 9936489
- SMILES
- C1=CC(=CC=C1C2=C(C(=NC(=C2C#N)SCC3=CSC(=N3)C4=CC=C(C=C4)Cl)N)C#N)OCCO
- 分子式
- C25H18ClN5O2S2
- 分子量
- 520.039
- 精确分子量
- 519.059
- InChI
- InChI=1S/C25H18ClN5O2S2/c26-17-5-1-16(2-6-17)24-30-18(13-34-24)14-35-25-21(12-28)22(20(11-27)23(29)31-25)15-3-7-19(8-4-15)33-10-9-32/h1-8,13,32H,9-10,14H2,(H2,29,31)
- InChIKey
- CITWCLNVRIKQAF-UHFFFAOYSA-N
- LogP
- 5.5145
- TPSA
- 128.84
名称与别名
- Capadenoson
- 544417-40-5
- capadenosonum
- Capadenoson [INN]
- Capadenoson?
- BAY 68-4986
- RefChem:123259
- BAY-68-4986
- O519NVW73R
- UNII-O519NVW73R
- C25H18ClN5O2S2
- D0I3YX
- CAPADENOSON [WHO-DD]
- CHEMBL3235279
- SCHEMBL174016
- Capadenoson;BAY 68-4986
- DTXSID50969597
- MFCD09954113
- orb1296185
- GTPL11221
- EX-A848
- CITWCLNVRIKQAF-UHFFFAOYSA-N
- DTXCID001397147
- GLXC-90353
- BCP16060
- KS-00000FV1
- 3517AH
- BAY684986
- BDBM50003646
- ZINC43202900