Bunamidine hydrochlorideProduct ingredient for Bunamidine

Name
Bunamidine hydrochloride
Drug Entry
Bunamidine

Bunamidine is a veterinary anti-platyhelmintic agent used for taenia infestations.

Accession Number
DBSALT001667
Structure
Synonyms
Bunamidine HCl / Bunamidine hydrochloride
External IDs
BW 62415
UNII
Y80LB0Q7CB
CAS Number
1055-55-6
Weight
Average: 419.05
Monoisotopic: 418.2750916
Chemical Formula
C25H39ClN2O
InChI Key
PBYJDHRFPFHVKZ-UHFFFAOYSA-N
InChI
InChI=1S/C25H38N2O.ClH/c1-4-7-10-13-20-28-24-17-16-23(21-14-11-12-15-22(21)24)25(26)27(18-8-5-2)19-9-6-3;/h11-12,14-17,26H,4-10,13,18-20H2,1-3H3;1H
IUPAC Name
N,N-dibutyl-4-(hexyloxy)naphthalene-1-carboximidamide hydrochloride
SMILES
Cl.CCCCCCOC1=C2C=CC=CC2=C(C=C1)C(=N)N(CCCC)CCCC
ChemSpider
13233228
ChEMBL
CHEMBL2104240
Predicted Properties
PropertyValueSource
Water Solubility9.22e-05 mg/mLALOGPS
logP7.04ALOGPS
logP7.13Chemaxon
logS-6.6ALOGPS
pKa (Strongest Basic)11.36Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area36.32 Å2Chemaxon
Rotatable Bond Count13Chemaxon
Refractivity131.54 m3·mol-1Chemaxon
Polarizability48.3 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon