Hydroxystilbamidine isethionateProduct ingredient for Hydroxystilbamidine

Name
Hydroxystilbamidine isethionate
Drug Entry
Hydroxystilbamidine

Hydroxystilbamidine isethionate is used in the therapy of some patients with nonprogressive blastomycosis of the skin, and pulmonary or systemic blastomycosis in children, with fewer side effects than amphotericin B. Hydroxystilbamidine isethionate is also used in pathology for diagnostic purposes.

Accession Number
DBSALT002848  (APRD01024, DB01040)
Structure
Thumb
Synonyms
Hydroxystilbamidine diisethionate / Hydroxystilbamidine isethionate / Hydroxystilbamidine isetionate
UNII
0163PVD2QZ
CAS Number
533-22-2
Weight
Average: 532.58
Monoisotopic: 532.129770846
Chemical Formula
C20H28N4O9S2
InChI Key
XVTQTNAKZYLTNZ-HFPMQDOPSA-N
InChI
InChI=1S/C16H16N4O.2C2H6O4S/c17-15(18)12-5-2-10(3-6-12)1-4-11-7-8-13(16(19)20)9-14(11)21;2*3-1-2-7(4,5)6/h1-9,21H,(H3,17,18)(H3,19,20);2*3H,1-2H2,(H,4,5,6)/b4-1+;;
IUPAC Name
bis(2-hydroxyethane-1-sulfonic acid); 4-[(1E)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzene-1-carboximidamide
SMILES
OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(=N)C1=CC=C(\C=C\C2=C(O)C=C(C=C2)C(N)=N)C=C1
PubChem Compound
16051924
PubChem Substance
46508302
ChemSpider
10481910
ChEMBL
CHEMBL2023895
Therapeutic Targets Database
DAP000850
PharmGKB
PA164745514
Wikipedia
Hydroxystilbamidine
Predicted Properties
PropertyValueSource
Water Solubility0.0644 mg/mLALOGPS
logP1.44ALOGPS
logP1.24ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)8.22ChemAxon
pKa (Strongest Basic)12.14ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area119.97 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity106.84 m3·mol-1ChemAxon
Polarizability31 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon