Bazedoxifene Acetate

HCID 154256CAS 198481-33-3

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Grundinformationen

Standard-SMILES: CC(=O)O.Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12
InChIKey: OMZAMQFQZMUNTP-UHFFFAOYSA-N
Summenformel: C32H38N2O5
Durchschnittliche Molmasse: 530,7 g/mol
Monoisotopische Masse: 530,27807232

Überblick

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

Namen und Bezeichner

Bevorzugter Name: Bazedoxifene Acetate
IUPAC: acetic acid;1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
Englischer Name: Bazedoxifene acetate
Summenformel: C32H38N2O5
Molmasse: 530.67

Namen und Synonyme

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)

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 95,2 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 7
Schwere Atome: 39
Formalladung: 0
Komplexität: 654

Experimentelle und physikochemische Eigenschaften

Human Drugs · 3 Einträge

FDA approved drugs -> Active ingredient

EMA approved medicines: Human medicine

FDA approved drugs -> Active ingredient

Physikochemische Eigenschaften

Schmelzpunkt: 174 · 174-178°
storage temp.: -20 °C · -20°C
Löslichkeit: 15 mg/mL, · DMSO: soluble15mg/mL, clear
Aggregatzustand: powder
Farbe: 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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesRepr. 2 (93.8%)

Sicherheitsdaten

wgk: 3
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

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.

Anwendungen

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