Epetraborole HydrochlorideProduct ingredient for Epetraborole

Show full entry for Epetraborole
Name
Epetraborole Hydrochloride
Drug Entry
Epetraborole

Epetraborole has been used in trials studying the treatment of Infections, Bacterial, Infections, Intestinal, Infections, Urinary Tract, and Community-acquired Infection.

See full entry for Epetraborole
Accession Number
DBSALT002062
Structure
Similar Structures
Synonyms
Not Available
UNII
MM0NZY12FA
CAS Number
1234563-16-6
Weight
Average: 273.52
Monoisotopic: 273.093916
Chemical Formula
C11H17BClNO4
InChI Key
DADYQGIQOBJGIW-HNCPQSOCSA-N
InChI
InChI=1S/C11H16BNO4.ClH/c13-7-10-8-3-1-4-9(16-6-2-5-14)11(8)12(15)17-10;/h1,3-4,10,14-15H,2,5-7,13H2;1H/t10-;/m1./s1
IUPAC Name
(3S)-3-(aminomethyl)-7-(3-hydroxypropoxy)-1,3-dihydro-2,1-benzoxaborol-1-ol hydrochloride
SMILES
Cl.NC[C@H]1OB(O)C2=C1C=CC=C2OCCCO
ChemSpider
34992357
ChEMBL
CHEMBL3527377
Predicted Properties
PropertyValueSource
Water Solubility1.04 mg/mLALOGPS
logP0.08ALOGPS
logP-0.43Chemaxon
logS-2.4ALOGPS
pKa (Strongest Acidic)7.92Chemaxon
pKa (Strongest Basic)9.28Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area84.94 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity58.88 m3·mol-1Chemaxon
Polarizability25.51 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon