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Chemical structure of Exeporfinium chloride

GB62189

Exeporfinium chloride

Also known as trimethyl-[3-[4-[15-[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]propyl]azanium dichloride

Exeporfinium, also known as XF-73, is an anti-microbial which works via weakening bacteria cell walls

ChemicalCAS718638-68-7MW765.824FormulaC44H50Cl2N6O2
CAS number
718638-68-7
Molecular weight
765.824
Formula
C44H50Cl2N6O2
Solubility
Soluble in DMSO, not in water
InChIKey
KJLHJQGDBJNMPU-UHFFFAOYSA-L
Catalogue number
GB62189
Brand
GLPBIO
Computed properties PubChem CID 135456185 · TPSA 75.8 Ų · H-bond donors 2 · H-bond acceptors 6
TPSA
75.8 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
54

SMILES C[N+](C)(C)CCCOC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=CC=C(N5)C=C6C=CC2=N6)C7=CC=C(C=C7)OCCC[N+](C)(C)C)C=C4)N3.[Cl-].[Cl-]

Computed descriptors from PubChem (CID 135456185), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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