Bazedoxifene acetateProduct ingredient for Bazedoxifene

Name
Bazedoxifene acetate
Drug Entry
Bazedoxifene

Bazedoxifene is a third generation selective estrogen receptor modulator (SERM), developed by Pfizer following the completion of their takeover of Wyeth Pharmaceuticals. In late 2013, Pfizer received approval for bazedoxifene as part of the combination drug DUAVEE in the prevention (not treatment) of postmenopausal osteoporosis. It is approved in the European Union (marketed in Italy and Spain) and Japan as monotherapy. In 2013, the combination product containing conjugated estrogens and bazedoxifene was approved by the FDA for the treatment of moderate to severe vasomotor symptoms associated with menopause, as well as the prevention of postmenopausal osteoporosis in women.

Accession Number
DBSALT001296
Structure
Synonyms
Not Available
UNII
J70472UD3D
CAS Number
198481-33-3
Weight
Average: 530.665
Monoisotopic: 530.278072332
Chemical Formula
C32H38N2O5
InChI Key
OMZAMQFQZMUNTP-UHFFFAOYSA-N
InChI
InChI=1S/C30H34N2O3.C2H4O2/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31;1-2(3)4/h6-15,20,33-34H,2-5,16-19,21H2,1H3;1H3,(H,3,4)
IUPAC Name
1-({4-[2-(azepan-1-yl)ethoxy]phenyl}methyl)-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol; acetic acid
SMILES
CC(O)=O.CC1=C(N(CC2=CC=C(OCCN3CCCCCC3)C=C2)C2=C1C=C(O)C=C2)C1=CC=C(O)C=C1
ChemSpider
135920
ChEMBL
CHEMBL2106615
Wikipedia
Bazedoxifene
Predicted Properties
PropertyValueSource
Water Solubility0.000564 mg/mLALOGPS
logP6.03ALOGPS
logP6.01Chemaxon
logS-5.9ALOGPS
pKa (Strongest Acidic)9.63Chemaxon
pKa (Strongest Basic)9.09Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area57.86 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity141.9 m3·mol-1Chemaxon
Polarizability54.06 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon