Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:81725 - Nicarbazin
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Nicarbazin
ChEBI ID
CHEBI:81725
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C19H18N6O6
Net Charge
0
Average Mass
426.38280
Monoisotopic Mass
426.12878
InChI
InChI=1S/C13H10N4O5.C6H8N2O/c18-
13(14-
9-
1-
5-
11(6-
2-
9)
16(19)
20)
15-
10-
3-
7-
12(8-
4-
10)
17(21)
22;1-
4-
3-
5(2)
8-
6(9)
7-
4/h1-
8H,(H2,14,15,18)
;3H,1-
2H3,(H,7,8,9)
InChIKey
UKHWDRMMMYWSFL-UHFFFAOYSA-N
SMILES
Cc1cc(C)[nH]c(=O)n1.[O-][N+](=O)c1ccc(NC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1
ChEBI Ontology
Outgoing
Nicarbazin (
CHEBI:81725
)
is a
organic molecular entity (
CHEBI:50860
)
Manual Xrefs
Databases
1722
VSDB
C18389
KEGG COMPOUND
View more database links
Registry Number
Type
Source
330-95-0
CAS Registry Number
KEGG COMPOUND