11-(Chloroacetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one

HCID 120053CAS 28797-48-0
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
O=C1Nc2cccnc2N(C(=O)CCl)c2ccccc21
InChIKey
RMBZFWLMYVPNGI-UHFFFAOYSA-N
Summenformel
C14H10ClN3O2
Durchschnittliche Molmasse
287,7 g/mol
Monoisotopische Masse
287,0461543

Namen und Bezeichner

Bevorzugter Name
11-(Chloroacetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
IUPAC
11-(2-chloroacetyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Englischer Name
5,11-Dihydro-11-chloroacetyl-6H-pyrido[2,3-b][1,4]benzodiazepine-6-one
Summenformel
C14H10ClN3O2
Molmasse
287.7

Namen und Synonyme

28797-48-011-(Chloroacetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one11-(2-chloroacetyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one3MF3ZSQ8A6EINECS 249-227-911-(Chloroacetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-(2-chloroacetyl)-5,11-dihydro-DTXSID0018297611-(2-chloroacetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one11-(2-CHLOROACETYL)-5H-PYRIDO(2,3-B)(1,4)BENZODIAZEPIN-6-ONE2-CHLORO-1-(6-HYDROXY-11H-PYRIDO(2,3-B)(1,4)BENZODIAZEPIN-11-YL)ETHANONE6H-PYRIDO(2,3-B)(1,4)BENZODIAZEPIN-6-ONE, 11-(2-CHLOROACETYL)-5,11-DIHYDRO-
Weitere Namen anzeigen
dcpboPirenzepine EP Impurity AN'-(2-chloro-3-pyridinyl)-N,N-dimethylmethanimidamide11-(chloroacetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodia...11-(CHLOROACETYL)-5,11-DIHYDRO-6H-PYRIDO[3,2-C][2]BENZAZEPIN-6-ONE5,11-Dihydro-11-Chloroacetyl-6H-Pyrido[2,3-B][1,4]Benzodiazepin-6-One5,11-DIHYDRO-11-CHLOROACETYL-6H-PYRIDOP2,3-B][1,4]BENZODIAZEPINE-6-ONE1-(2-Chloroacetyl)-5,11-dihydro-pyrido-[2,3-b][1,4]benzodiazepin-6-one
11-(2-Chloroacetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one2-chloro-1-(6-hydroxy-11H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethanoneRefChem:437199DTXCID40105467249-227-911-(2-Chloroacetyl)-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11H)-one5,11-Dihydro-11-chloroacetyl-6H-pyrido[2,3-b][1,4]benzodiazepine-6-oneMFCD01948712

Datenbank-Bezeichner

CAS
28797-48-0
PubChem CID
120053
DTXSID
DTXSID00182976
ChEMBL
CHEMBL1480996
UNII
3MF3ZSQ8A6
EC Number
249-227-9
Nikkaji
J286.457F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,8
Polarare Oberfläche (TPSA)
62,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
1
Schwere Atome
20

Experimentelle und physikochemische Eigenschaften

Solubility>43.2 [ug/mL] (The mean of the results at pH 7.4)

Physikochemische Eigenschaften

Dichte
1.415 · 1.415
Brechungsindex
1.637 · 1.637
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit
DMSO (Slightly), Methanol (Slightly, Sonicated)
Aggregatzustand
Solid
Farbe
White to Off-White

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 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

Regulatory InformationStatus: Active Update: 09-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18580
Hazard Classes and CategoriesSkin Sens. 1A (100%)；Eye Irrit. 2 (100%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 09-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18580

Sicherheitsdaten

Alarmwort
Warnung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H317

Chemie und Industrie

Anbieter50 Anbieter

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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