Burixafor hydrobromide
2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethylphosphonic acid;hydrobromide
Molecular Identity
Burixafor hydrobromide
2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethylphosphonic acid;hydrobromide
PubChem CID: 154575080
2D Structure
Properties
C27H52BrN8O3P
Molecular Formula
647.60
Molecular Weight
g/mol
646.3083
Exact Mass
Da
152
TPSA
May have limited oral absorption
7
H-Bond Donors
11
H-Bond Acceptors
724
Complexity
SMILES
Canonical SMILES
SMILES: C1CCC(CC1)NCCCNCC2CCC(CC2)CNC3=NC(=CC(=N3)N4CCN(CC4)CCP(=O)(O)O)N.BrIsomeric SMILES
SMILES: C1CCC(CC1)NCCCNCC2CCC(CC2)CNC3=NC(=CC(=N3)N4CCN(CC4)CCP(=O)(O)O)N.BrSynonyms(9)
Burixafor HBrBurixafor hydrobromide1191450-19-72-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethylphosphonic acid;hydrobromideBurixafor hydrobromide (TG-0054 hydrobromide)orb1710191DA-71819G16612T10635
Data from PubChem (NCBI)
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