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loading...| Preferred Name |
Methysergide maleate |
| Synonyms |
Sansert (TN) Methysergide maleate |
| ID |
http://purl.obolibrary.org/obo/CHEBI_6894 |
| charge |
0 |
| database_cross_reference |
KEGG:D00681 CAS:129-49-7 |
| formula |
C21H27N3O2.C4H4O4 C25H31N3O6 |
| has_exact_synonym |
Methysergide maleate |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
Sansert (TN) |
| id |
CHEBI:6894 |
| in_subset | |
| inchi |
InChI=1S/C21H27N3O2.C4H4O4/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14;5-3(6)1-2-4(7)8/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,15+,19-;/m1./s1 |
| inchikey |
LWYXFDXUMVEZKS-ZVFOLQIPSA-N |
| label |
Methysergide maleate |
| mass |
469.531 |
| monoisotopicmass |
469.22129 |
| notation |
CHEBI:6894 |
| prefLabel |
Methysergide maleate |
| smiles |
C1=2C=3C=4[C@](N(C[C@@H](C4)C(N[C@@H](CC)CO)=O)C)(CC1=CN(C2C=CC3)C)[H].C(=CC(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#C61843 | National Cancer Institute Thesaurus / 美国国家癌症研究所词典 | LOOM |