loading...| Preferred Name |
dihydroergocristine |
|
| Synonyms |
DHEC (10alphaH)-5'alpha-benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman C35H41N5O5 9,10-dihydroergocristine |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_59912 |
|
| 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. |
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| has role | ||
| 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 |
InChIKey=DEQITUUQPICUMR-HJPBWRTMSA-N |
|
| label |
dihydroergocristine |
|
| prefixIRI |
obo2: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 |
|
| Synonym |
DHEC (10alphaH)-5'alpha-benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman C35H41N5O5 9,10-dihydroergocristine |
|
| xref |
ChEMBL:688819 Beilstein:79043 KEGG DRUG:D07834 CASRN:17479-19-5 |
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| subClassOf |