Befetupitant
Grundinformationen
- CAS
290296-68-3- Standard-SMILES
Cc1ccccc1-c1cc(N2CCOCC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
ZGNPLCMMVKCTHM-UHFFFAOYSA-N- Summenformel
- C29H29F6N3O2
- Durchschnittliche Molmasse
- 565,5 g/mol
- Monoisotopische Masse
- 565,21639649
Überblick
Befetupitant is a small molecule drug. The usage of the INN stem '-pitant' in the name indicates that Befetupitant is a neurokinin NK1 (substance P) receptor antagonist. Befetupitant has a monoisotopic molecular weight of 565.22 Da.
Namen und Bezeichner
- Bevorzugter Name
- Befetupitant
- IUPAC
- 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-morpholin-4-yl-3-pyridinyl]propanamide
- Englischer Name
- 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-morpholin-4-yl-pyridin-3-yl]propanamide
- Summenformel
- C29H29F6N3O2
- Molmasse
- 565.55
Namen und Synonyme
Befetupitant290296-68-3Ro 67-5930Ro-675930RSH7NDI7MI2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-morpholin-4-ylpyridin-3-yl]propanamideRO-67-5930DTXSID901832702-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-methylphenyl)-6-(morpholin-4-yl)pyridin-3-yl)-N-methylisobutyramidebefetupitantum2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(4-(2-methylphenyl)-6-morpholin-4-ylpyridin-3-yl)propanamide2-(3,5-Bis(trifluoromethyl)phenyl)-N-[4-[2-methylphenyl]-6-(morpholin-4-yl)pyridin-3-yl]-N-methylisobutyramide
Weitere Namen anzeigen
Benzeneacetamide, N,α,α-trimethyl-N-[4-(2-methylphenyl)-6-(4-morpholinyl)-3-pyridinyl]-3,5-bis(trifluoromethyl)-
RefChem:916804DTXCID00105761CHEMBL2046942-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(6-morpholino-4-(o-tolyl)pyridin-3-yl)propanamide2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-morpholin-4-yl-pyridin-3-yl]propanamideRo67-5930UNII-RSH7NDI7MIBefetupitant [USAN:INN]
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,6
- Polarare Oberfläche (TPSA)
- 45,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 10
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 40
- Formalladung
- 0
- Komplexität
- 838
Physikochemische Eigenschaften
- Schmelzpunkt
- 128.8 · 128.8-129.9 °C
- Siedepunkt
- 599.8 · 599.8±50.0 °C(Predicted)
- Dichte
- 1.283 · 1.283±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- Soluble in DMSO
- pka
- 4.98 · 4.98±0.10(Predicted)
Chemie und Industrie
Anwendungen
VerwendenTreatment of depression.
Anbieter10 Anbieter
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Zugehörige Reaktionen
22
Notizen zur Verbindung
Wird geladen…