Methyl 2-((1r,4r)-4-(4-(5-((6-(trifluoromethyl)pyridin-3-yl)amino)pyridin-2-yl)phenyl)cyclohexyl)acetate
Grundinformationen
- CAS
956136-97-3- Standard-SMILES
COC(=O)CC1CCC(c2ccc(-c3ccc(Nc4ccc(C(F)(F)F)nc4)cn3)cc2)CC1- InChIKey
RCYGBTZMDNSHGT-UHFFFAOYSA-N- Summenformel
- C26H26F3N3O2
- Durchschnittliche Molmasse
- 469,5 g/mol
- Monoisotopische Masse
- 469,19771157
Namen und Bezeichner
- Bevorzugter Name
- Methyl 2-((1r,4r)-4-(4-(5-((6-(trifluoromethyl)pyridin-3-yl)amino)pyridin-2-yl)phenyl)cyclohexyl)acetate
- IUPAC
- methyl 2-[4-[4-[5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]phenyl]cyclohexyl]acetate
Namen und Synonyme
956136-97-3RefChem:813025808-237-9Methyl 2-((1r,4r)-4-(4-(5-((6-(trifluoromethyl)pyridin-3-yl)amino)pyridin-2-yl)phenyl)cyclohexyl)acetate(4-{4-[5-(6-Trifluoromethyl-pyridin-3-ylamino)-pyridin-2-yl]-phenyl}-cyclohexyl)-acetic acid methyl estermethyl 2-{4-[4-(5-{[6-(trifluoromethyl)pyridin-3-yl]amino}pyridin-2-yl)phenyl]cyclohexyl}acetateSCHEMBL180703
Datenbank-Bezeichner
- CAS
956136-97-3- PubChem CID
- 24938267
- EC Number
- 808-237-9
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6
- Polarare Oberfläche (TPSA)
- 64,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 34
- Formalladung
- 0
- Komplexität
- 646
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]；H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]；H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P203, P260, P273, P280, P318, P319, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesRepr. 2 (100%)；STOT RE 2 (100%)；Aquatic Chronic 4 (100%)
Zugehörige Reaktionen
4
Notizen zur Verbindung
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