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loading...| Preferred Name |
Barnidipine hydrochloride |
|
| Synonyms |
Barnidipine hydrochloride |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_31253 |
|
| charge |
0 |
|
| database_cross_reference |
KEGG:D01104 |
|
| formula |
C27H30ClN3O6 C27H29N3O6.HCl |
|
| 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 |
|
| subClassOf |
Create mapping
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.obolibrary.org/obo/CHEBI_31253 | CHEBI | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_31253 | CHEBI | LOOM | |
| http://purl.bioontology.org/ontology/RXNORM/283819 | RXNORM | LOOM |