CP 96345
Grundinformationen
- CAS
132746-60-2- Standard-SMILES
COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1- InChIKey
FLNYLINBEZROPL-NSOVKSMOSA-N- Summenformel
- C28H32N2O
- Durchschnittliche Molmasse
- 412,6 g/mol
- Monoisotopische Masse
- 412,25146365
Überblick
structure given in first source; potent nonpeptide antagonist of the substance P (NK1) receptor; CP 96344 is enantiomer of CP 96345
Namen und Bezeichner
- Bevorzugter Name
- CP 96345
- IUPAC
- (2S,3S)-2-benzhydryl-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
- Englischer Name
- CP 96345
- Summenformel
- C28H32N2O
- Molmasse
- 412.57
Namen und Synonyme
132746-60-2CP-96345CP 96345CP 96,345CP 963442-(Diphenylmethyl)-N-((2-methoxyphenyl)methyl)-1-azabicyclo(2.2.2)octan-3-amineW22ILA2I52(2S,3S)-2-(Diphenylmethyl)-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine1-Azabicyclo(2.2.2)octan-3-amine, 2-(diphenylmethyl)-N-((2-methoxyphenyl)methyl)-, (2S-cis)-1-AZABICYCLO(2.2.2)OCTAN-3-AMINE, 2-(DIPHENYLMETHYL)-N-((2-METHOXYPHENYL)METHYL)-, (2S,3S)-1-Azabicyclo[2.2.2]octan-3-amine, 2-(diphenylmethyl)-N-[(2-methoxyphenyl)methyl]-, (2S,3S)-CP-96,344
Weitere Namen anzeigen
CP-96345-1(2S)-N-(2-Methoxybenzyl)-2β-benzhydryl-1-azabicyclo[2.2.2]octane-3β-amine(2S)-2β-Diphenylmethyl-3β-(2-methoxybenzylamino)-1-azabicyclo[2.2.2]octane(2S)-2β-(Diphenylmethyl)-N-(2-methoxybenzyl)-1-azabicyclo[2.2.2]octan-3β-amine(2S,3S)-N-(2-Methoxyphenyl)methyl-2-diphenylmethyl-1-azabicyclo[2.2.2]octan-3-amine(2S)-2β-(Diphenylmethyl)-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3β-amine(2S-cis)-2-(DiphenylMethyl)-N-[(2-Methoxyphenyl)Methyl]- 1-azabicyclo[2.2.2]octan-3-aMine
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,4
- Polarare Oberfläche (TPSA)
- 24,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 31
- Formalladung
- 0
- Komplexität
- 515
Physikochemische Eigenschaften
- storage temp.
- room temp
- Löslichkeit
- 24 mg/mL · DMSO: soluble24mg/mL
- Aggregatzustand
- white powder
- Farbe
- Off-white to light yellow
- InChI
- 1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m0/s1
- InChIKey
- FLNYLINBEZROPL-NSOVKSMOSA-N
- SMILES
- COC1=CC=CC=C1CN[C@@H]2[C@H](C(C3=CC=CC=C3)C4=CC=CC=C4)N5CCC2CC5
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 22-36/37/38-50/53
- hazard_code
- Xn,N
- safety_code
- 26-60-61
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
Anwendungen
VerwendenCP 96345 is a potent and selective non-peptide NK1 receptor antagonist. CP 96345 attenuates substance P-induced salivary response and inhibits neurogenic inflammation in vivo.
Anbieter18 Anbieter
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
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