Preferred Name |
Dihydroergocristine |
|
Synonyms |
9,10-dihydroergocristine DHEC (10alphaH)-5'alpha-benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman |
|
Definitions |
Ergocristine in which a single bond replaces the double bond between positions 9 and 10. It is used as the mesylate salt for the symptomatic treatment of mental deterioration associated with cerebrovascular insufficiency and in peripheral vascular disease. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_59912 |
|
alternative label |
9,10-dihydroergocristine DHEC (10alphaH)-5'alpha-benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman |
|
charge |
0 |
|
database_cross_reference |
KEGG:D07834 LINCS:LSM-4200 CAS:17479-19-5 Beilstein:79043 Drug_Central:887 |
|
definition |
Ergocristine in which a single bond replaces the double bond between positions 9 and 10. It is used as the mesylate salt for the symptomatic treatment of mental deterioration associated with cerebrovascular insufficiency and in peripheral vascular disease. |
|
formula |
C35H41N5O5 |
|
has functional parent | ||
has parent hydride | ||
has role | ||
has_exact_synonym |
(10alphaH)-5'alpha-benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
9,10-dihydroergocristine DHEC |
|
has_RxCUI |
3416 |
|
id |
CHEBI:59912 |
|
in_subset | ||
inchi |
InChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)/t23-,25-,27-,28+,29+,34-,35+/m1/s1 |
|
inchikey |
DEQITUUQPICUMR-HJPBWRTMSA-N |
|
label |
Dihydroergocristine dihydroergocristine |
|
mass |
611.73050 |
|
monoisotopicmass |
611.31077 |
|
notation |
CHEBI:59912 |
|
prefLabel |
Dihydroergocristine |
|
smiles |
[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@@]1(O[C@]2(O)N([C@@H](Cc3ccccc3)C(=O)N3CCC[C@@]23[H])C1=O)C(C)C |
|
subClassOf |