Guanoxan sulfateProduct ingredient for Guanoxan

Name
Guanoxan sulfate
Drug Entry
Guanoxan

Guanoxan is an antihypertensive agent similar in its mechanism of action to guanethidine; may cause liver damage. Guanoxan was approved in the UK but was withdrawn from the market due to hepatotoxicity.

Accession Number
DBSALT002676
Structure
Synonyms
Guanoxan sulphate
External IDs
3-01003 / Compound 1003 / P 1003 / P 3/01003 / P-1003
UNII
N6IT80R85G
CAS Number
5714-04-5
Weight
Average: 512.54
Monoisotopic: 512.16893306
Chemical Formula
C20H28N6O8S
InChI Key
NSGHAKPGHCNTPS-UHFFFAOYSA-N
InChI
InChI=1S/2C10H13N3O2.H2O4S/c2*11-10(12)13-5-7-6-14-8-3-1-2-4-9(8)15-7;1-5(2,3)4/h2*1-4,7H,5-6H2,(H4,11,12,13);(H2,1,2,3,4)
IUPAC Name
bis(N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]guanidine); sulfuric acid
SMILES
OS(O)(=O)=O.NC(=N)NCC1COC2=C(O1)C=CC=C2.NC(=N)NCC1COC2=C(O1)C=CC=C2
ChemSpider
20621
ChEMBL
CHEMBL1742462
Predicted Properties
PropertyValueSource
Water Solubility1.33 mg/mLALOGPS
logP0.1ALOGPS
logP0.42Chemaxon
logS-2.2ALOGPS
pKa (Strongest Basic)11.99Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area80.36 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity65.35 m3·mol-1Chemaxon
Polarizability21.48 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon