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loading...| Preferred Name |
Clebopride malate |
| Synonyms |
Clebopride malate |
| ID |
http://purl.obolibrary.org/obo/CHEBI_31408 |
| charge |
0 |
| database_cross_reference |
CAS:57645-91-7 KEGG:D01742 |
| formula |
C20H25ClN3O2.C4H5O5 C24H30ClN3O7 |
| has_exact_synonym |
Clebopride malate |
| has_obo_namespace |
chebi_ontology |
| id |
CHEBI:31408 |
| in_subset | |
| inchi |
InChI=1S/C20H24ClN3O2.C4H6O5/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14;5-2(4(8)9)1-3(6)7/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25);2,5H,1H2,(H,6,7)(H,8,9) |
| inchikey |
NYNKCGWJPNZJMI-UHFFFAOYSA-N |
| label |
Clebopride malate |
| mass |
507.965 |
| monoisotopicmass |
507.17723 |
| notation |
CHEBI:31408 |
| prefLabel |
Clebopride malate |
| smiles |
C1=CC=C(C=C1)C[NH+]2CCC(CC2)NC(=O)C3=CC(=C(C=C3OC)N)Cl.C(C(C(=O)[O-])O)C(=O)O |
| treeView | |
| subClassOf |
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| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C83629 | National Cancer Institute Thesaurus / 美国国家癌症研究所词典 | LOOM |