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pentamidine isethionate

Properties

Image

Occurences in reactions

MNX_ID

MNXM107640

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₃H₃₆N₄O₁₀S₂

charge

mass

592.18729

reference

chebi:7977

InChIKey

YBVNFKZSMZGRAD-UHFFFAOYSA-N

InChI

InChI=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)

SMILES

N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:7977 chebi:7977	pentamidine isethionate 4,4'-(Pentamethylenedioxy)dibenzamidine bis(2-hydroxyethanesulfonate) 4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate) 4,4'-Diamidino-alpha,omega-diphenoxypentane isethionate 4,4'-Diamidinodiphenoxypentane di(beta-hydroxyethanesulfonate) 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide bis(2-hydroxyethylsulfonate) Pentamidine diisethionate [pentane-1,5-diylbis(oxy-4,1-phenylene)]bis(aminomethaniminium) bis(2-hydroxyethanesulfonate) p,p'-(Pentamethylenedioxy)dibenzamidine bis(beta-hydroxyethanesulfonate)
kegg.drug:D00834 keggD:D00834	Pentamidine isethionate (USP) Pentam 300 (TN) Pentamidine isetionate (JAN)
keggD:M_D00834	secondary/obsolete/fantasy identifier