主记录
AV-412 Tosylate
- CAS
- 451493-31-5
- PubChem CID
- 11700696
- SMILES
- CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C#CC1=CC2=C(C=C1NC(=O)C=C)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)N4CCN(CC4)C
- 分子式
- C41H44ClFN6O7S2
- 分子量
- 851.423
- 精确分子量
- 850.2385
- InChI
- InChI=1S/C27H28ClFN6O.2C7H8O3S/c1-5-25(36)33-23-16-20-24(30-17-31-26(20)32-19-6-7-22(29)21(28)15-19)14-18(23)8-9-27(2,3)35-12-10-34(4)11-13-35;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-7,14-17H,1,10-13H2,2-4H3,(H,33,36)(H,30,31,32);2*2-5H,1H3,(H,8,9,10)
- InChIKey
- GTWJVFFZCKODEV-UHFFFAOYSA-N
- LogP
- 7.1513
- TPSA
- 182.13
名称与别名
- AV-412 Tosylate
- AV-412
- 451493-31-5
- AV-412 mesylate
- MP-412 Tosylate
- AV412 cpd
- MP412 cpd
- MP-412 DITOSYLATE
- MP-412
- AV-412 bis-tisylate
- AV412
- UNII-Z541VW0W40
- RefChem:115726
- Z541VW0W40
- AV 412
- MP 412
- 451493-31-5 (tosylate)
- C41H44ClFN6O7S2
- MP412
- orb1309962
- SCHEMBL4760106
- CHEMBL6067986
- MP 412 [WHO-DD]
- EX-A756
- MFCD16038940
- DTXSID801375967
- GLXC-10834
- BCP23783
- C27H28ClFN6O.2C7H8O3S
- 3191AH