loading...| Preferred Name |
dihydroergotamine mesylate |
|
| Synonyms |
(10alphaH)-5'alpha-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman methanesulfonate 9,10-dihydroergotamine methanesulfonate dihydroergotamine mesilate (10alphaH)-5'alpha-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman mesylate dihydroergotamine monomethanesulfonate dihydroergotamine methanesulfonate 9,10-dihydroergotamine mesylate |
|
| Definitions |
The methanesulfonic acid salt of dihydroergotamine, a semisynthetic ergot alkaloid with weaker oxytocic and vasoconstrictor properties than ergotamine. Both the mesylate and the tartrate salts are used for the treatment of migraine and orthostatic hypotension. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_59756 |
|
| charge |
0 |
|
| database_cross_reference |
Beilstein:3895588 KEGG:D02211 CAS:6190-39-2 DrugBank:DB00320 |
|
| definition |
The methanesulfonic acid salt of dihydroergotamine, a semisynthetic ergot alkaloid with weaker oxytocic and vasoconstrictor properties than ergotamine. Both the mesylate and the tartrate salts are used for the treatment of migraine and orthostatic hypotension. |
|
| formula |
C34H41N5O8S |
|
| has part | ||
| has_exact_synonym |
(10alphaH)-5'alpha-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman methanesulfonate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
9,10-dihydroergotamine methanesulfonate dihydroergotamine mesilate (10alphaH)-5'alpha-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman mesylate dihydroergotamine monomethanesulfonate dihydroergotamine methanesulfonate 9,10-dihydroergotamine mesylate |
|
| id |
CHEBI:59756 |
|
| in_subset | ||
| inchi |
InChI=1S/C33H37N5O5.CH4O3S/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-5(2,3)4/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1H3,(H,2,3,4)/t21-,23-,25-,26+,27+,32-,33+;/m1./s1 |
|
| inchikey |
ADYPXRFPBQGGAH-UMYZUSPBSA-N |
|
| label |
dihydroergotamine mesylate |
|
| mass |
679.78300 |
|
| monoisotopicmass |
679.26758 |
|
| notation |
CHEBI:59756 |
|
| prefLabel |
dihydroergotamine mesylate |
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_35941 |
|
| smiles |
CS(O)(=O)=O.[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@]1(C)O[C@]2(O)N([C@@H](Cc3ccccc3)C(=O)N3CCC[C@@]23[H])C1=O |
|
| subClassOf |