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Pentamidine isethionate

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For Research Use Only | Not For Clinical Use
CATAPS140647A
CAS140-64-7
Structure
MDL NumberMFCD00079213
SynonymsBenzamidine, 4,4'-(pentamethylenedioxy)di-, diisethionate (6CI), Lomidine, NebuPent, Lomidin, 2512RP, 4,4'-Diamidinodiphenoxypentane di(β-hydroxyethanesulfonate), Pentacarinat, Pentam 300, Aeropent, Pentamidine diisethionate,Pentamidine diisetionate, 4,4'-[Pentane-1,5-diylbis(oxy)]dibenzamidine di(2-hydroxyethanesulfonate), Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-(pentamethylenedioxy)dibenzamidine (2:1) (8CI), RP 2512, 1,5-Bis(4-amidinophenoxy)pentane diisethionate, Pentamidine isetionate, Pentam, Pneumopent, Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-[1,5-pentanediylbis(oxy)]bis[benzenecarboximidamide] (2:1), 4,4'-Diamidino-α,ω-diphenoxypentane diisethionate, Diamidine, M & B 800, Pentamidine isethionate, p,p'-(Pentamethylenedioxy)dibenzamidine bis(β-hydroxyethanesulfonate), Benzenecarboximidamide, 4,4'-[1,5-pentanediylbis(oxy)]bis-, bis(2-hydroxyethanesulfonate) (9CI), WR 4931, Banambax
IUPAC Name4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid
Molecular Weight592.68
Molecular FormulaC19H24N4O2.2C2H6O4S
Canonical SMILESNC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O
InChIInChI=1S/C19H24N4O2.2C2H6O4S/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23;2*3-1-2-7(4,5)6/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);2*3H,1-2H2,(H,4,5,6)
InChI KeyYBVNFKZSMZGRAD-UHFFFAOYSA-N
DescriptionUnited States Pharmacopeia (USP) Reference Standard
Accurate Mass592.1873
FormatNeat
Linear FormulaCH2[CH2CH2OC6H4C(=NH)NH2]2·2HOCH2CH2SO3H
MP188-194 °C (lit.)
ShippingRoom Temperature
Size200MG
Storage Conditions+20°C
SubcategoryPharmaceutical and veterinary compounds and metabolites
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