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Bazedoxifene

CAT: 0013-GTR19153785-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19153785-03Size:1 g
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Description
Bazedoxifene is a selective estrogen receptor modulator (SERM) currently in development for osteoporosis prevention and treatment.
CAS Number
198481-32-2
Field of Research
Pharmacology & Drug Discovery
Smiles
CC1=C (N (C2=C1C=C (C=C2) O) CC3=CC=C (C=C3) OCCN4CCCCCC4) C5=CC=C (C=C5) O
Molecular Formula
C30H34N2O3
Molecular Weight
470.6
Notes
For research use only.

Chemical Information

Bazedoxifene

Bazedoxifene is a phenylindole.

CAS Number198481-32-2
PubChem CID154257
IUPAC Name1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
Molecular FormulaC30H34N2O3
Molecular Weight470.6
XLogP6.1
Topological Polar Surface Area57.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity623
SMILES
CC1=C(N(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)OCCN4CCCCCC4)C5=CC=C(C=C5)O
InChI
InChI=1S/C30H34N2O3/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/h6-15,20,33-34H,2-5,16-19,21H2,1H3
InChIKey
UCJGJABZCDBEDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bazedoxifene
CAS: 198481-32-2
CID: 154257
Formula: C30H34N2O3
MW: 470.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.6
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass470.25694295
Monoisotopic Mass470.25694295
Topological Polar Surface Area57.9 Ų
Heavy Atom Count35
Formal Charge0
Complexity623
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-A0031-01Bazedoxifene
A3233-5Bazedoxifene acetate
B1519-50Bazedoxifene HCl
HY-A0031S-01Bazedoxifene-d4

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