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loading...| Preferred Name |
Methysergide maleate |
|
| Synonyms |
Methysergide maleate Sansert (TN) |
|
| 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 |
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| has_related_synonym |
Sansert (TN) |
|
| id |
CHEBI:6894 |
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| 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 |
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| notation |
CHEBI:6894 |
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| 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(=C\C(O)=O)\C(O)=O |
|
| subClassOf |
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