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Platinum-pentamidine complex

HCID 197300
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Basic information

CAS
134065-04-6
Standard SMILES
N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[H+].[H+].[H+].[H+].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIKey
SQGXXDIGSNISIQ-UHFFFAOYSA-D
Molecular formula
C57H76Cl14N12O6Pt5
Average molar mass
2,497 g/mol
Monoisotopic mass
2,488.98899

Names & identifiers

Preferred name
Platinum-pentamidine complex
IUPAC
tris(4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide);hydron;pentakis(platinum(2+));tetradecachloride

Names & synonyms

134065-04-6RefChem:1096451Platinum-pentamidinePlatinum, hexachloro(mu-(4,4'-(1,5-pentanediylbis(oxy))bis(benzenecarboximidamide)-N:N'))(mu-3-(4,4'-(1,5-pentanediylbis(oxy))bis(benzenecarboximidamide-N:N':N''))(4,4'-(1,pentanediylbis(oxy))bis(benzenecarboximidamide)-N)tri-, stereoisomer, (SP-4-1)-tetrachloroplatinate(2-) (1:2)

Database identifiers

CAS
134065-04-6
PubChem CID
197300

Properties

Computed structural properties

Topological polar surface area
355 Ų
Hydrogen bond donors
16
Hydrogen bond acceptors
26
Rotatable bonds
30
Heavy atoms
94
Formal charge
0
Complexity
376

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