2-[4-(1,2-Diphenylvinyl)phenoxy]ethyl(diethyl)ammoniumchlorid
2-(4-(1,2-Diphenylvinyl)phenoxy)ethyl(diethyl)ammonium chloride
Grundinformationen
- CAS
74056-26-1- Standard-SMILES
CCN(CC)CCOc1ccc(/C(=C/c2ccccc2)c2ccccc2)cc1.Cl- InChIKey
VPQKHXADDASFHZ-HCPJHKKFSA-N- Summenformel
- C26H30ClNO
- Durchschnittliche Molmasse
- 408 g/mol
- Monoisotopische Masse
- 407,2015923
Namen und Bezeichner
- Bevorzugter Name
- 2-(4-(1,2-Diphenylvinyl)phenoxy)ethyl(diethyl)ammonium chloride
- IUPAC
- 2-[4-[(E)-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;hydrochloride
- Lokaler Name
- 2-[4-(1,2-Diphenylvinyl)phenoxy]ethyl(diethyl)ammoniumchlorid
- Englischer Name
- 2-[4-(1,2-diphenylvinyl)phenoxy]ethyl(diethyl)ammonium chloride
- Summenformel
- C26H30ClNO
- Molmasse
- 407.98
Namen und Synonyme
74056-26-12-(4-(1,2-Diphenylvinyl)phenoxy)ethyl(diethyl)ammonium chlorideEINECS 277-686-52-[4-(1,2-DIPHENYLVINYL)PHENOXY]ETHYL(DIETHYL)AMMONIUM CHLORIDERefChem:456174277-686-5Deschloro Clomiphene Hydrochloride (E/Z Mixture)2-[4-[(E)-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;hydrochlorideC26H30ClNOSCHEMBL16910240MFCD316210732-[4-[(E)-1,2-diphenylvinyl]phenoxy]-N,N-diethyl-ethanamine;hydrochloride
Weitere Namen anzeigen
ENCL-006Clomiphene RC AClomiphene Impurity AClomifene Citrate Impurity A as HydrochlorideClomiphene Related Compound A as HydrochlorideClomifene Citrate EP Impurity A as HydrochlorideClomiphene USP Related Compound A as Hydrochloride2-(4-(1,2Diphenylethenyl)phenoxy) diethyl ammonium chloride2-[4-(1,2-diphenylethenyl)phenoxy]ethyl-diethylazanium:chloride
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 12,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 435
Physikochemische Eigenschaften
- Schmelzpunkt
- 148 · 148-157 °C
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- Farbe
- Light Beige to Brown
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C26H29NO.ClH/c1-3-27(4-2)19-20-28-25-17-15-24(16-18-25)26(23-13-9-6-10-14-23)21-22-11-7-5-8-12-22;/h5-18,21H,3-4,19-20H2,1-2H3;1H/b26-21-;
- InChIKey
- VPQKHXADDASFHZ-AURQPEIRSA-N
- SMILES
- Cl.N(CCOc1ccc(cc1)\C(=C/c3ccccc3)\c2ccccc2)(CC)CC
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
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P264, P270, P280, P301+P317, P318, P319, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralCarc. 2STOT RE 2 Oral
Chemie und Industrie
Anwendungen
VerwendenDeschloro Clomiphene Hydrochlorideis an analog of Clomiphene (C587025), with estrogenic activity. Also used in the preparation of antifertility agents.
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