Bavisant

HCID 16061509

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Grundinformationen

CAS: 929622-08-2
Standard-SMILES: O=C(c1ccc(CN2CCOCC2)cc1)N1CCN(C2CC2)CC1
InChIKey: BGBVSGSIXIIREO-UHFFFAOYSA-N
Summenformel: C19H27N3O2
Durchschnittliche Molmasse: 329,4 g/mol
Monoisotopische Masse: 329,2103271

Überblick

Bavisant has been used in trials studying the basic science and treatment of Alcoholism, Pharmacokinetics, Drug Interactions, Attention Deficit Hyperactivity Disorder, and Attention Deficit Disorders With Hyperactivity.

Namen und Bezeichner

Bevorzugter Name: Bavisant
IUPAC: (4-cyclopropylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
Englischer Name: Bavisant
Summenformel: C19H27N3O2
Molmasse: 329.44

Namen und Synonyme

BAVISANT929622-08-2JNJ-310010749827P7LFVHDTXSID001026045(4-Cyclopropylpiperazin-1-yl)(4-(morpholin-4-ylmethyl)phenyl)methanonebavisantum4-((4-(4-cyclopropylpiperazine-1-carbonyl)phenyl)methyl)morpholine(4-Cyclopropylpiperazin-1-yl)[4-(morpholin-4-ylmethyl)phenyl]methanone4-{[4-(4-CYCLOPROPYLPIPERAZINE-1-CARBONYL)PHENYL]METHYL}MORPHOLINERefChem:916750DTXCID70207943

Weitere Namen anzeigen

BEN-2001JNJ31001074JNJ 31001074Bavisant, 10 mM in DMSOMethanone, (4-cyclopropyl-1-piperazinyl)[4-(4-morpholinylmethyl)phenyl]-JNJ31001074,JNJ 31001074,Neurological disorders,inhibit,Histamine Receptor,attention-deficit hyperactivity disorder,ADHD,cognition,Bavisant,wakefulness,Inhibitor

UNII-9827P7LFVHBavisant [USAN:INN](4-cyclopropylpiperazin-1-yl)(4-(morpholinomethyl)phenyl)methanone(4-cyclopropylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanoneMethanone, (4-cyclopropyl-1-piperazinyl)(4-(4-morpholinylmethyl)phenyl)-CHEMBL3577957Bavisant [USAN]929622-08-2(free base)

Datenbank-Bezeichner

CAS: 929622-08-2
PubChem CID: 16061509
DTXSID: DTXSID001026045
ChEMBL: CHEMBL2103862、CHEMBL3577957
UNII: 9827P7LFVH

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 36 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 24
Formalladung: 0
Komplexität: 418

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

Physikochemische Eigenschaften

Siedepunkt: 485.2 · 485.2±45.0 °C(Predicted)
Dichte: 1.22 · 1.220±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Store at -20°C
Löslichkeit: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
Aggregatzustand: Powder
pka: 7.66 · 7.66±0.70(Predicted)
Farbe: Light yellow to brown