N-Methyldesloratadine
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Grundinformationen
- CAS
38092-89-6- Standard-SMILES
CN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1- InChIKey
VLXSCTINYKDTKR-UHFFFAOYSA-N- Summenformel
- C20H21ClN2
- Durchschnittliche Molmasse
- 324,8 g/mol
- Monoisotopische Masse
- 324,1393264
Namen und Bezeichner
- Bevorzugter Name
- N-Methyldesloratadine
- IUPAC
- 13-chloro-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
- Englischer Name
- N-Methyl Desloratadine
- Summenformel
- C20H21ClN2
- Molmasse
- 324.85
Namen und Synonyme
N-Methyldesloratadine8-chloro-11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridineLoratadine impurity G [EP]UNII-70V8053T5G70V8053T5GDTXSID401915028-Chloro-11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo(5,6)cyclohepta(1,2-b)pyridine5H-Benzo(5,6)cyclohepta(1,2-b)pyridine, 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-LORATADINE IMPURITY G [EP IMPURITY]LORATADINE IMPURITY G (EP IMPURITY)5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-Loratadine impurity G
Weitere Namen anzeigen
Methyl loratadineN-Methyl LoratadineLoratadine Related CoMpound B8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-5h-benzo[5,6]cyclohepta[1,2-b]pyridine8-Chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-5H-benzo[5,6] cyclohepta [1,2-b]pyridine (N-Methyl Desloratadine)8-Chloro-66]cyclohepta[1Methyl loratidine
RefChem:163816DTXCID10113993641-012-1923-094-338092-89-68-ChloroazatadineN-Methyl DesloratadineLoratadine EP Impurity G
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 4,2
- Polarare Oberfläche (TPSA)
- 16,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 451
Physikochemische Eigenschaften
- Schmelzpunkt
- 106 · 106-109°C
- Siedepunkt
- 474.3 · 474.3±45.0 °C(Predicted)
- Dichte
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 8.67 · 8.67±0.20(Predicted)
- Aggregatzustand
- solid
- Major Application
- pharmaceutical small molecule
- InChI
- InChI=1S/C20H21ClN2/c1-23-11-8-14(9-12-23)19-18-7-6-17(21)13-16(18)5-4-15-3-2-10-22-20(15)19/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3
- InChIKey
- VLXSCTINYKDTKR-UHFFFAOYSA-N
- SMILES
- C12/C(=C3\CCN(C)CC\3)/C3=CC=C(Cl)C=C3CCC1=CC=CN=2
- CAS Datenbank
- 38092 · 38092-89-6(CAS DataBase Reference)
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
This chemical does not meet GHS hazard criteria for 6.2% (2 of 32) of reports.
Danger
H302 (93.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (34.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (53.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (34.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (37.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H361 (53.1%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]；H362 (53.1%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation]；H412 (53.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P203, P260, P261, P263, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 32 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 32 reports by companies.；There are 4 notifications provided by 30 of 32 reports by companies with hazard statement code(s).；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: 25-02-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17175
Hazard Classes and CategoriesAcute Tox. 4 (93.8%)；Skin Irrit. 2 (34.4%)；Eye Dam. 1 (53.1%)；Eye Irrit. 2 (34.4%)；Acute Tox. 4 (37.5%)；Repr. 2 (53.1%)；Lact. (53.1%)；Aquatic Chronic 3 (53.1%)
Chemie und Industrie
Anwendungen
VerwendenAn intermediate in the synthesis of Loratadine. Loratadine impurity.
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Nachgelagerte Produkte
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