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03. Biological Effects of Specific Chemicals
03. Biological Effects of Specific Chemicals
dihydroergocristine [CHEBI:59912] (1)
05. Industrial Uses
05. Industrial Uses
dihydroergocristine [CHEBI:59912] (1)
08. Chemical Category
08. Chemical Category
dihydroergocristine [CHEBI:59912] (1)
dihydroergocristine [CHEBI:59912] (1)
ChEBI Compound Accession Identifier :
[CHEBI:59912]
ChEBI Compound Description :
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.
ChEBI Compound Identification Number :
59912
ChEBI InChI Value :
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
ChEBI InChIKey Value :
DEQITUUQPICUMR-HJPBWRTMSA-N
ChEBI Compound Name :
dihydroergocristine
ChEBI SMILES Value :
[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
ChEBI Substance ID :
99319647
ChEBI URL :
ChEBI:59912
ChemSpider ID :
96884
Ontomatica Chemical Accession Key (OnChAKey) :
DEQITUUQPICUMR_HJPBWRTMSA_N_000_000000
PubChem Compound ID :
107715