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CHEBI:7572 - Niguldipine

ChEBI IDCHEBI:7572
ChEBI NameNiguldipine
Stars
Last Modified24 February 2016
DownloadsMolfile
FormulaC36H39N3O6
Net Charge0
Average Mass609.723
Monoisotopic Mass609.28389
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3
InChIKeySVJMLYUFVDMUHP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Niguldipine (CHEBI:7572) is a diarylmethane (CHEBI:51614)
Synonyms  Source
NiguldipineKEGG COMPOUND
DexniguldipineKEGG COMPOUND
Manual XrefsDatabases
C11236KEGG COMPOUND
LSM-1688LINCS
Registry NumbersSources
CAS:102993-22-6KEGG COMPOUND