Bazedoxifene Acetate
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Grundinformationen
- CAS
198481-33-3- 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
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 95,2 Ų
- 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
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
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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
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.
Zugehörige Reaktionen
27
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