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CHEBI:31253 - Barnidipine hydrochloride

ChEBI IDCHEBI:31253
ChEBI NameBarnidipine hydrochloride
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC27H29N3O6.HCl
Net Charge0
Average Mass528.005
Monoisotopic Mass527.18231
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1.Cl
InChIInChI=1S/C27H29N3O6.ClH/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19;/h4-11,14,22,25,28H,12-13,15-16H2,1-3H3;1H/t22-,25-;/m0./s1
InChIKeyXEMPUKIZUCIZEY-YSCHMLPRSA-N
ChEBI Ontology
Outgoing Relation(s)
Barnidipine hydrochloride (CHEBI:31253) is a dihydropyridine (CHEBI:50075)
Synonym  Source
Barnidipine hydrochlorideKEGG COMPOUND
Manual XrefsDatabases
D01104KEGG DRUG