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Bazedoxifene acetate 50mg

CAT: 0628-A11665-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A11665-50Size:50 mg
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CAS Number
198481-33-3

Chemical Information

Bazedoxifene Acetate

See also: Bazedoxifene (has active moiety); Bazedoxifene acetate; estrogens, conjugated (component of).

CAS Number198481-33-3
PubChem CID154256
IUPAC Nameacetic acid;1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
Molecular FormulaC32H38N2O5
Molecular Weight530.7
Topological Polar Surface Area95.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity654
SMILES
CC1=C(N(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)OCCN4CCCCCC4)C5=CC=C(C=C5)O.CC(=O)O
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)
InChIKey
OMZAMQFQZMUNTP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bazedoxifene Acetate
CAS: 198481-33-3
CID: 154256
Formula: C32H38N2O5
MW: 530.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass530.27807232
Monoisotopic Mass530.27807232
Topological Polar Surface Area95.2 Ų
Heavy Atom Count39
Formal Charge0
Complexity654
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
A3233-5Bazedoxifene acetate
HY-A0036-01Bazedoxifene (acetate)

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