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CAS Number: 28797-48-0
11-(2-chloroacetyl)-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11H)-one

Structure

 11-(2-chloroacetyl)-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11H)-one
Name: 11-(2-chloroacetyl)-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11H)-one
Synonyms:
General Information
Product Number: 28797480

CAS Registry Number 28797-48-0
Name:
6H-?Pyrido[2,?3-?b]?[1,?4]?benzodiazepin-?6-?one, 11-?(2-?chloroacetyl)?-?5,?11-?dihydro-
6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-(chloroacetyl)-5,11-dihydro- (8CI,9CI)
11-(2-Chloroacetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one

 

Chemical Formula: C14H10ClN3O2
Exact Mass: 287.05
Molecular Weight: 287.70
m/z: 287.05 (100.0%), 289.04 (32.0%), 288.05 (15.3%), 290.05 (5.0%), 289.05 (1.7%), 288.04 (1.1%)

 

InChI:InChI=1S/C14H10ClN3O2/c15-8-12(19)18-11-6-2-1-4-9(11)14(20)17-10-5-3-7-16-13(10)18/h1-7H,8H2,(H,17,20)

InChI Key:RMBZFWLMYVPNGI-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=O)NC3=C(N2C(=O)CCl)N=CC=C3

 

Thermal Properties Value Condition Note
Melting Point 212-219 °C   (2)IC
Melting Point 212 °C   (1)CAS

Specification

98%
References
  1. (1) Tahtaoui, Chouaib; Journal of Medicinal Chemistry 2004, V47(17), P4300-4315 CAPLUS
  2. (2) Hulinska, Hana; Collection of Czechoslovak Chemical Communications 1988, V53(8), P1820-44 CAPLUS
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