Synonyms
Status
Molecule Category Salt-form
UNII J70472UD3D
EPA CompTox DTXSID3048657
Parent Compound: BAZEDOXIFENE

Structure

InChI Key OMZAMQFQZMUNTP-UHFFFAOYSA-N
Smiles CC(=O)O.Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H38N2O5
Molecular Weight 530.67
AlogP 6.33
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 57.86
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 35.0

Pharmacology

Mechanism of Action Action Reference
Estrogen receptor modulator MODULATOR FDA PubMed

Target Conservation

Protein: Estrogen receptor

Description: Estrogen receptor

Organism : Homo sapiens

P03372 ENSG00000091831
Protein: Estrogen receptor

Description: Estrogen receptor beta

Organism : Homo sapiens

Q92731 ENSG00000140009

Cross References

Resources Reference
ChEMBL CHEMBL2106615
FDA SRS J70472UD3D
PubChem 154256
SureChEMBL SCHEMBL635726