Biological and Environmental Research Ontology

Last uploaded: December 23, 2022

Id	http://purl.obolibrary.org/obo/CHEBI_6894 http://purl.obolibrary.org/obo/CHEBI_6894
Preferred Name	Methysergide maleate
Synonyms	Sansert (TN) Methysergide maleate
Type	http://www.w3.org/2002/07/owl#Class

label	Methysergide maleate
prefLabel	Methysergide maleate
database_cross_reference	KEGG:D00681 CAS:129-49-7
notation	CHEBI:6894
in_subset	http://purl.obolibrary.org/obo/chebi#2_STAR
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
has_related_synonym	Sansert (TN)
id	CHEBI:6894
charge	0
has_obo_namespace	chebi_ontology
formula	C21H27N3O2.C4H4O4 C25H31N3O6
subClassOf	http://purl.obolibrary.org/obo/CHEBI_60529
inchikey	LWYXFDXUMVEZKS-ZVFOLQIPSA-N
mass	469.531
monoisotopicmass	469.22129
type	http://www.w3.org/2002/07/owl#Class
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
has_exact_synonym	Methysergide maleate
alternative term	Sansert (TN) Methysergide maleate

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