CHEBI:92280 - 3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine

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ChEBI Name 3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine
ChEBI ID CHEBI:92280
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H22N4O4
Net Charge 0
Average Mass 370.403
Monoisotopic Mass 370.16411
InChI InChI=1S/C19H22N4O4/c1-20(2)10-3-11-21-18-8-6-16(22(24)25)12-14(18)4-5-15-13-17(23(26)27)7-9-19(15)21/h6-9,12-13H,3-5,10-11H2,1-2H3
InChIKey MKXUVDRBPODBNG-UHFFFAOYSA-N
SMILES CN(C)CCCN1C2=C(CCC3=C1C=CC(=C3)[N+](=O)[O-])C=C(C=C2)[N+](=O)[O-]
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine (CHEBI:92280) is a C-nitro compound (CHEBI:35716)
3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine (CHEBI:92280) is a dibenzoazepine (CHEBI:47804)
3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine (CHEBI:92280) is a tertiary amino compound (CHEBI:50996)
Manual Xref Database
LSM-2336 LINCS
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Last Modified
12 May 2016