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loading...| Preferred Name |
Methylergonovine Maleate |
|
| Synonyms |
Methylergonovine maleate Methylergometrine maleate |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_6874 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:57432-61-8 KEGG:C07800 KEGG:D00680 PMID:24134630 CAS:113-42-8 |
|
| formula |
C20H25N3O2.C4H4O4 C20H25N3O2 C24H29N3O6 |
|
| has_exact_synonym |
Methylergonovine maleate |
|
| has_obo_namespace |
chebi_ontology |
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| has_related_synonym |
Methylergometrine maleate |
|
| id |
CHEBI:6874 |
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| in_subset | ||
| inchi |
InChI=1S/C20H25N3O2.C4H4O4/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13;5-3(6)1-2-4(7)8/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t13-,14+,18-;/m1./s1 |
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| inchikey |
NOFOWWRHEPHDCY-DAUURJMHSA-N |
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| label |
Methylergonovine Maleate |
|
| mass |
455.504 |
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| monoisotopicmass |
455.20564 |
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| notation |
CHEBI:6874 |
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| prefLabel |
Methylergonovine Maleate |
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| RO_0000087 | ||
| smiles |
C1=2C=3C=4[C@](N(C[C@@H](C4)C(N[C@@H](CC)CO)=O)C)(CC1=CNC2C=CC3)[H].C(/C=C\C(O)=O)(O)=O |
|
| subClassOf |
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