Preferred Name |
Barnidipine hydrochloride |
|
Synonyms |
Barnidipine hydrochloride |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_31253 |
|
charge |
0 |
|
database_cross_reference |
KEGG:D01104 |
|
formula |
C27H29N3O6.HCl C27H30ClN3O6 |
|
has_exact_synonym |
Barnidipine hydrochloride |
|
has_obo_namespace |
chebi_ontology |
|
id |
CHEBI:31253 |
|
in_subset | ||
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 |
|
label |
Barnidipine hydrochloride |
|
mass |
527.998 |
|
monoisotopicmass |
527.18231 |
|
notation |
CHEBI:31253 |
|
prefLabel |
Barnidipine hydrochloride |
|
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 |
|
treeView | ||
subClassOf |
Create mapping
Delete | Mapping To | Ontology | Source |
---|---|---|---|
http://purl.obolibrary.org/obo/CHEBI_31253 | BERO | SAME_URI | |
http://purl.bioontology.org/ontology/RXNORM/283819 | RXNORM | LOOM | |
http://purl.obolibrary.org/obo/CHEBI_31253 | BERO | LOOM |