(3S,4R)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-1-benzyl-4-(4-fluorophenyl)piperidine

HCID 9953865

Grundinformationen

CAS
105813-14-7
Standard-SMILES
Fc1ccc([C@@H]2CCN(Cc3ccccc3)C[C@H]2COc2ccc3c(c2)OCO3)cc1
InChIKey
AGTKMLMRHVWXHN-URXFXBBRSA-N
Summenformel
C26H26FNO3
Durchschnittliche Molmasse
419,5 g/mol
Monoisotopische Masse
419,18967185

Namen und Bezeichner

Bevorzugter Name
(3S,4R)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-1-benzyl-4-(4-fluorophenyl)piperidine
IUPAC
(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-1-benzyl-4-(4-fluorophenyl)piperidine
Englischer Name
trans N-Benzyl Paroxetine
Summenformel
C26H26FNO3
Molmasse
419.49

Namen und Synonyme

(3S,4r)-3-[(1,3-benzodioxol-5-yloxy)methyl]-1-benzyl-4-(4-fluorophenyl)piperidine(3S,4R)-3-((1,3-Benzodioxol-5-yloxy)methyl)-1-benzyl-4-(4-fluorophenyl)piperidineRefChem:401511929-011-7105813-14-7(-)-N-BenzylparoxetineN-BenzylparoxetineMLV7RU9XDD(3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)-1-benzyl-4-(4-fluorophenyl)piperidine(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-1-benzyl-4-(4-fluorophenyl)piperidine(3S,4R)-3-(((1,3-Benzodioxol-5-yl)oxy)methyl)-1-benzyl-4-(4-fluorophenyl)piperidinePiperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-1-(phenylmethyl)-, (3S,4R)-
Weitere Namen anzeigen
Paxil Impurity 27trans N-Benzyl ParoxetineParoxetine HCl Anhydrous EP Impurity CParoxetine hydrochloride EP impurity CParoxetine EP Impurity C(N-Benzyl Paroxetine)Paroxetine Hydrochloride Anhydrous EP Impurity CParoxetine Anhydrous EP Impurity C (N-benzylparoxetine)Paroxetine Impurity 21(Paroxetine HCl Anhydrous EP Impurity C)
Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-1-(phenylmethyl)-, trans-(-)-starbld0017939UNII-MLV7RU9XDD(3S,4R)-3-((benzo[d][1,3]dioxol-5-yloxy)methyl)-1-benzyl-4-(4-fluorophenyl)piperidine hydrochlorideParoxetine EP Impurity CC26H26FNO3SCHEMBL7240803AGTKMLMRHVWXHN-URXFXBBRSA-N

Datenbank-Bezeichner

CAS
105813-14-7
PubChem CID
9953865
DTXSID
DTXSID401123259
UNII
MLV7RU9XDD
EC Number
929-011-7
Nikkaji
J2.113.869J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
5,5
Polarare Oberfläche (TPSA)
30,9 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
6
Schwere Atome
31

Physikochemische Eigenschaften

storage temp.
Refrigerator
Löslichkeit
Ethyl Acetate (Slightly), Methanol (Slightly)
BRN
9809201 · 9809201
Major Application
pharmaceutical (small molecule)
InChI
1S/C26H26FNO3/c27-22-8-6-20(7-9-22)24-12-13-28(15-19-4-2-1-3-5-19)16-21(24)17-29-23-10-11-25-26(14-23)31-18-30-25/h1-11,14,21,24H,12-13,15-18H2/t21-,24-/m0/s1
InChIKey
AGTKMLMRHVWXHN-URXFXBBRSA-N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin];H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation];H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P260, P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 20-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24367
Hazard Classes and CategoriesAcute Tox. 4 (100%);Skin Sens. 1B (100%);Acute Tox. 4 (100%);STOT RE 2 (100%);Aquatic Acute 1 (100%);Aquatic Chronic 1 (100%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 20-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24367

Chemie und Industrie

Anwendungen

VerwendenParoxetine intermediate

Anbieter42 Anbieter

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]

Zugehörige Reaktionen

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