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Bazedoxifene-d4

CAT: 0024-sc-503715Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-503715Size:1 mg
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CAS Number
1133695-49-4

Chemical Information

Bazedoxifene-d4
CAS Number1133695-49-4
PubChem CID50902419
IUPAC Name1-[[4-[2-(azepan-1-yl)-1,1,2,2-tetradeuterioethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
Molecular FormulaC30H34N2O3
Molecular Weight474.6
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
[2H]C([2H])(C([2H])([2H])OC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)O)C(=C2C4=CC=C(C=C4)O)C)N5CCCCCC5
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/i18D2,19D2
InChIKey
UCJGJABZCDBEDK-AUZVCRNNSA-N
Chemical Structure
2D Structure
2D structure of Bazedoxifene-d4
CAS: 1133695-49-4
CID: 50902419
Formula: C30H34N2O3
MW: 474.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.6
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass474.28204993
Monoisotopic Mass474.28204993
Topological Polar Surface Area57.9 Ų
Heavy Atom Count35
Formal Charge0
Complexity623
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-A0031S-01Bazedoxifene-d4
CS-T-48590Bazedoxifene-d4 Acetate
AR-B01044-01Bazedoxifene-D4 HCl
CS-BU-00123Bazedoxifene-d4 Hydrochloride
HY-A0031S2Bazedoxifene-d4 (acetate)
HY-143929S-01Bazedoxifene-5-glucuronide-d4
TRC-B129282-75MGBazedoxifene-d4 N-Oxide
442171-01Bazedoxifene-d4 5-β-D-Glucuronide
TRC-B129277-10MGBazedoxifene-d4 5-beta-D-Glucuronide
HY-A0031-01Bazedoxifene

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