Documents

P161

Sigma-Aldrich

Pentamidine isethionate salt

Synonym(s):
4,4′-(Pentamethylenedioxy)dibenzamidine bis(2-hydroxyethanesulfonate), 1,5-Bis(p-amidinophenoxy)pentane bis(2-hydroxyethanesulfonate salt)
Linear Formula:
CH2[CH2CH2OC6H4C(=NH)NH2]2·2HOCH2CH2SO3H
CAS Number:
Molecular Weight:
592.68
EC Number:
MDL number:
PubChem Substance ID:
Pricing and availability is not currently available.

mp

188-194 °C (lit.)

storage temp.

−20°C

SMILES string

OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1

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)

InChI key

YBVNFKZSMZGRAD-UHFFFAOYSA-N

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