Primary record
Abafungin
- CAS
- 129639-79-8
- PubChem CID
- 159326
- SMILES
- CC1=CC(=C(C=C1)OC2=CC=CC=C2C3=CSC(=N3)NC4=NCCCN4)C
- Molecular Formula
- C21H22N4OS
- Molecular Weight
- 378.501
- Exact Mass
- 378.1514
- InChI
- InChI=1S/C21H22N4OS/c1-14-8-9-18(15(2)12-14)26-19-7-4-3-6-16(19)17-13-27-21(24-17)25-20-22-10-5-11-23-20/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H2,22,23,24,25)
- InChIKey
- TYBHXIFFPVFXQW-UHFFFAOYSA-N
- LogP
- 4.9804
- TPSA
- 58.54
Names and synonyms
- Abafungin
- 129639-79-8
- abafungina
- abafungine
- Abasol
- abafunginum
- bay w 6341
- Abafungin [INN:BAN]
- 11DI31LWXF
- ABAFUNGIN [INN]
- UNII-11DI31LWXF
- BAY-w-6341
- AC1Q4URQ
- RefChem:108475
- D08MTG
- AC1L4LN6
- C21H22N4OS
- BAY-W 6341
- CHEBI:76005
- BAY-W-6341-
- SCHEMBL301668
- SCHEMBL301669
- DTXSID60869776
- MFCD00942263
- orb1306355
- CHEMBL3989547
- SCHEMBL12795940
- SCHEMBL29517947
- DTXCID80817698
- BCP08353