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CHEBI:31904 - Nicomol

Default Structure
ChEBI IDCHEBI:31904
ChEBI NameNicomol
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC34H32N4O9
Net Charge0
Average Mass640.649
Monoisotopic Mass640.21693
SMILESO=C(OCC1(COC(=O)c2cccnc2)CCCC(COC(=O)c2cccnc2)(COC(=O)c2cccnc2)C1O)c1cccnc1
InChIInChI=1S/C34H32N4O9/c39-28(24-6-1-12-35-16-24)44-20-33(21-45-29(40)25-7-2-13-36-17-25)10-5-11-34(32(33)43,22-46-30(41)26-8-3-14-37-18-26)23-47-31(42)27-9-4-15-38-19-27/h1-4,6-9,12-19,32,43H,5,10-11,20-23H2
InChIKeyVRAHPESAMYMDQI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Nicomol (CHEBI:31904) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
cholexaminDrugCentral
cholexamineDrugCentral
NicomolKEGG COMPOUND
Manual XrefsDatabases
1917DrugCentral
D01291KEGG DRUG
Registry NumbersSources
CAS:27959-26-8KEGG COMPOUND