CHEBI:31253 - Barnidipine hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Barnidipine hydrochloride
ChEBI ID CHEBI:31253
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C27H29N3O6.HCl
C27H30ClN3O6
Net Charge 0
Average Mass 527.998
Monoisotopic Mass 527.18231
InChI InChI=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
InChIKey XEMPUKIZUCIZEY-YSCHMLPRSA-N
SMILES C(N1C[C@H](CC1)OC(C=2[C@H](C(=C(C)NC2C)C(OC)=O)C3=CC([N+]([O-])=O)=CC=C3)=O)C4=CC=CC=C4.Cl
ChEBI Ontology
Outgoing Barnidipine hydrochloride (CHEBI:31253) is a dihydropyridine (CHEBI:50075)
Synonym Source
Barnidipine hydrochloride KEGG COMPOUND
Manual Xref Database
D01104 KEGG DRUG
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Last Modified
06 March 2017