Brovanexine hydrochlorideProduct ingredient for Brovanexine
- Name
- Brovanexine hydrochloride
- Drug Entry
- Brovanexine
- Accession Number
- DBSALT002815
- Structure
Structure for Brovanexine hydrochloride (DBSALT002815)
- Synonyms
- Brovanexine HCl
- External IDs
- BR 222 / BR-222 / UR 389 / UR-389
- UNII
- 51I4IS0SMG
- CAS Number
- 54340-60-2
- Weight
- Average: 604.76
Monoisotopic: 602.018261 - Chemical Formula
- C24H29Br2ClN2O4
- InChI Key
- GOPILTWRTSSNPV-UHFFFAOYSA-N
- InChI
- InChI=1S/C24H28Br2N2O4.ClH/c1-15(29)32-21-10-9-16(12-22(21)31-3)24(30)27-23-17(11-18(25)13-20(23)26)14-28(2)19-7-5-4-6-8-19;/h9-13,19H,4-8,14H2,1-3H3,(H,27,30);1H
- IUPAC Name
- 4-[(2,4-dibromo-6-{[cyclohexyl(methyl)amino]methyl}phenyl)carbamoyl]-2-methoxyphenyl acetate hydrochloride
- SMILES
- Cl.COC1=C(OC(C)=O)C=CC(=C1)C(=O)NC1=C(CN(C)C2CCCCC2)C=C(Br)C=C1Br
- External Links
- ChemSpider
- 16736837
- Predicted Properties
Property Value Source Water Solubility 0.000345 mg/mL ALOGPS logP 5.58 ALOGPS logP 5.79 Chemaxon logS -6.2 ALOGPS pKa (Strongest Acidic) 14.07 Chemaxon pKa (Strongest Basic) 8.8 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 67.87 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 133.99 m3·mol-1 Chemaxon Polarizability 52.62 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon