Bazedoxifene

HCID 154257

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Basic information

CAS: 198481-32-2
Standard SMILES: Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12
InChIKey: UCJGJABZCDBEDK-UHFFFAOYSA-N
Molecular formula: C30H34N2O3
Average molar mass: 470.6 g/mol
Monoisotopic mass: 470.25694295

Names & identifiers

Preferred name: Bazedoxifene
IUPAC: 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
English name: Bazedoxifene
Molecular formula: C30H34N2O3
Molecular weight: 470.6

Names & synonyms

Bazedoxifene198481-32-2ConbrizaBazedoxifenoTSE-424Q16TT9C5BK1H-Indol-5-ol, 1-[[4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-WAY 1404241-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-olDTXSID70173593TSE4241-({4-[2-(azepan-1-yl)ethoxy]phenyl}methyl)-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol

Show more names

Bazedoxifen1-(4-(2-(Azepan-1-yl)ethoxy)benzyl)-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-olCS-1993BatoxifeneBardoxifeneUnii-Q16tt9C5bkBAZEDOXIFENE BASE

1H-Indol-5-ol, 1-((4-(2-(hexahydro-1H-azepin-1-yl)ethoxy)phenyl)methyl)-2-(4-hydroxyphenyl)-3-methyl-bazedoxifenum1-((4-(2-(azepan-1-yl)ethoxy)phenyl)methyl)-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol1-((4-(2-(azepan-1-yl)ethoxy)phenyl)methyl)-2-(4-hydroxyphenyl)-3-methylindol-5-olRefChem:116748DTXCID3096084G03XC02Viviant

Database identifiers

CAS: 198481-32-2
PubChem CID: 154257
DTXSID: DTXSID70173593
ChEMBL: CHEMBL46740
ChEBI: CHEBI:135947
UNII: Q16TT9C5BK
EC Number: 805-732-1
Nikkaji: J1.561.275D

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 57.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 35
Formal charge: 0
Complexity: 623

Physicochemical properties

Melting point: 98 · 98-102°
Boiling point: 694.4 · 694.4±55.0 °C(Predicted)
Density: 1.19 · 1.19
storage temp.: -20 °C · Sealed in dry,Store in freezer, under -20°C
solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 10.12 · 10.12±0.15(Predicted)
color: White to Very Dark Beige
FDA UNII: 16 TT9C5BK · Q16TT9C5BK
NCI Drug Dictionary: bazedoxifene
ATC code: 3 XC02 · G03XC02
Symbol(GHS): 8 · GHS08
Signal word: Danger
Hazard statements: 360 · H360
Precautionary statements: 201 · P201-P202-P281-P308+P313-P405-P501

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS08
Hazard statements: H360
Precautionary statements: P201-P202-P281-P308+P313-P405-P501

Chemistry & industry

Applications · 2 items

UsesBazedoxifene is an nonsteroidal selective estrogen receptor modulator (SERM). Bazedoxifene is used as an antiosteoporotic.

General DescriptionBazedoxifene, 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol (Viviant), was declared to be “approvable” bythe FDA in 2007 for the prevention of postmenopausalosteoporosis. As of mid-2009, final approval in the UnitedStates is still pending. Bazedoxifene was approved inEurope in 2009 for the treatment of post–menopausalosteoporosis.