Grundinformationen
- Standard-SMILES
CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2CC1C)OCO3- InChIKey
JACAAXNEHGBPOQ-UHFFFAOYSA-N- Summenformel
- C19H19N3O3
- Durchschnittliche Molmasse
- 337,4 g/mol
- Monoisotopische Masse
- 337,14264148
Namen und Bezeichner
- Bevorzugter Name
- Gyki-53405
- IUPAC
- 1-[5-(4-aminophenyl)-8-methyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-7-yl]ethanone
Namen und Synonyme
Gyki-53405Gyki 53405RefChem:922638143691-37-6LY 2936061-(4-Aminophenyl)-3-acetyl-4-methyl-3,4-dihydro-7,8-methylenedioxy-5H-2,3-benzodiazepine1-[5-(4-aminophenyl)-8-methyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-7-yl]ethanoneEthanone, 1-[5-(4-aminophenyl)-8,9-dihydro-8-methyl-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-7-yl]-GYKI 53774JACAAXNEHGBPOQ-UHFFFAOYSA-NGYKI-53773;LY-300164LY 300165; ent-LY 300164
Weitere Namen anzeigen
7-Acetyl-5-(4-aminophenyl)-8,9-dihydro-8-methyl-7H-1,3-dioxolo(4,5-h)(2,3)benzodiazepineSCHEMBL118012orb1697025AKOS0305991177H-1,3-Dioxolo(4,5-h)(2,3)benzodiazepine, 7-acetyl-5-(4-aminophenyl)-8,9-dihydro-8-methyl-DB-063491DB-064417NS00122435
Datenbank-Bezeichner
- CAS
143691-37-6- PubChem CID
- 126756
- EC Number
- 806-210-6
- Nikkaji
- J660.383A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 77,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 544
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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
Hazard Classes and CategoriesAcute Tox. 3 (100%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)
Zugehörige Reaktionen
25
Verknüpfte Notizen
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