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Chemical structure of Pentamidine-d4 dihydrochloride

GC71664

Pentamidine-d4 dihydrochloride

Also known as 4-[5-(4-carbamimidoylphenoxy)-1,1,5,5-tetradeuteriopentoxy]benzenecarboximidamide;dihydrochloride

Pentamidine-d4 (dihydrochloride) is the deuterium labeled Pentamidine dihydrochloride

ChemicalCAS1276197-32-0MW417.37FormulaC19H22D4Cl2N4O2
CAS number
1276197-32-0
Molecular weight
417.37
Formula
C19H22D4Cl2N4O2
InChIKey
HWURPQUPKQFGJI-XQZXWLSLSA-N
Catalogue number
GC71664
Brand
GLPBIO
Computed properties PubChem CID 162641952 · TPSA 118 Ų · H-bond donors 6 · H-bond acceptors 4
TPSA
118 Ų
H-bond donors
6
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
27

SMILES [2H]C([2H])(CCCC([2H])([2H])OC1=CC=C(C=C1)C(=N)N)OC2=CC=C(C=C2)C(=N)N.Cl.Cl

Computed descriptors from PubChem (CID 162641952), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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