Bazedoxifene Acetate

HCID 154256

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Basic information

CAS: 198481-33-3
Standard SMILES: CC(=O)O.Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12
InChIKey: OMZAMQFQZMUNTP-UHFFFAOYSA-N
Molecular formula: C32H38N2O5
Average molar mass: 530.7 g/mol
Monoisotopic mass: 530.27807232

Overview

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

Names & identifiers

Preferred name: Bazedoxifene Acetate
IUPAC: acetic acid;1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
English name: Bazedoxifene acetate
Molecular formula: C32H38N2O5
Molecular weight: 530.67

Names & synonyms

Bazedoxifene acetate198481-33-3DuaviveBazedoxifen acetateWAY-140424DTXSID3048657J70472UD3DDTXCID00285831-(p-(2-(Hexahydro-1H-azepin-1-yl)ethoxy)benzyl)-2-(p-hydroxyphenyl)-3-methylindol-5-ol monoacetate (salt)1H-Indol-5-ol, 1-((4-(2-(hexahydro-1H-azepin-1-yl)ethoxy)phenyl)methyl)-2-(4-hydroxyphenyl)-3-methyl-, monoacetate (salt)RefChem:916768Bazedoxifene (acetate)

Show more names

ViviantWAY-TSE-424WAY-TES 424Unii-J70472ud3d3-Oxo ZiprasidoneBadoxifen acetateBazedoxifene acetat

MFCD092600741H-Indol-5-ol, 1-[[4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-, acetate (1:1)NCGC00182055-02Bazedoxifene Acetate1-(4-(2-(azepan-1-yl)ethoxy)benzyl)-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol acetateacetic acid;1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-olCAS-198481-33-3Brilence

Database identifiers

CAS: 198481-33-3
PubChem CID: 154256
DTXSID: DTXSID3048657
ChEMBL: CHEMBL2106615
UNII: J70472UD3D
EC Number: 638-804-4

Properties

Computed structural properties

Topological polar surface area: 95.2 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 39
Formal charge: 0
Complexity: 654

Experimental & physicochemical properties

Human Drugs · 3 items

FDA approved drugs -> Active ingredient

EMA approved medicines: Human medicine

FDA approved drugs -> Active ingredient

Physicochemical properties

Melting point: 174 · 174-178°
storage temp.: -20 °C · -20°C
solubility: 15 mg/mL, · DMSO: soluble15mg/mL, clear
form: powder
color: white to beige
InChIKey: DGEPGJZKMFNSDD-UHFFFAOYSA-N
SMILES: C(=O)(O)C.C(C1C=CC(OCCN2CCCCCC2)=CC=1)N1C2C=CC(O)=CC=2C(C)=C1C1C=CC(O)=CC=1
FDA UNII: 70472 UD3D · J70472UD3D
UNSPSC Code: 51111800 · 51111800
NACRES: 77 · NA.77
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 261 · P261-P305+P351+P338
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H361 (93.8%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 32 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesRepr. 2 (93.8%)

Safety data

wgk: 3
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H319
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

A structurally diverse group of compounds distinguished from ESTROGENS by their ability to bind and activate ESTROGEN RECEPTORS but act as either an agonist or antagonist depending on the tissue type and hormonal milieu. They are classified as either first generation because they demonstrate estrogen agonist properties in the ENDOMETRIUM or second generation based on their patterns of tissue specificity. (Horm Res 1997;48:155-63)

Agents that inhibit BONE RESORPTION and/or favor BONE MINERALIZATION and BONE REGENERATION. They are used to heal BONE FRACTURES and to treat METABOLIC BONE DISEASES such as OSTEOPOROSIS.

Applications

UsesBazedoxifene acetate has been used to study its efficacy in inhibiting the interleukin-6 (IL-6)/IL-6R/glycoprotein 130 pathway and its effects on medulloblastoma cells.

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