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03. Biological Effects of Specific Chemicals
03. Biological Effects of Specific Chemicals
dihydroergotamine [CHEBI:4562] (1)
dihydroergotamine [CHEBI:4562] (1)
dihydroergotamine [CHEBI:4562] (1)
dihydroergotamine [CHEBI:4562] (1)
05. Industrial Uses
05. Industrial Uses
dihydroergotamine [CHEBI:4562] (1)
08. Chemical Category
08. Chemical Category
dihydroergotamine [CHEBI:4562] (1)
dihydroergotamine [CHEBI:4562] (1)
ChEBI Compound Accession Identifier :
[CHEBI:4562]
ChEBI Compound Description :
Ergotamine in which a single bond replaces the double bond between positions 9 and 10. A semisynthetic ergot alkaloid with weaker oxytocic and vasoconstrictor properties than ergotamine, it is used (as the methanesulfonic or tartaric acid salts) for the treatment of migraine and orthostatic hypotension.
ChEBI Compound Identification Number :
4562
ChEBI InChI Value :
InChI=1S/C33H37N5O5/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/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32-,33+/m1/s1
ChEBI InChIKey Value :
LUZRJRNZXALNLM-JGRZULCMSA-N
ChEBI Compound Name :
dihydroergotamine
ChEBI SMILES Value :
[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
ChEBI Substance ID :
99313633
ChEBI URL :
ChEBI:4562
ChemSpider ID :
10091
Ontomatica Chemical Accession Key (OnChAKey) :
LUZRJRNZXALNLM_JGRZULCMSA_N_000_000000
PubChem Compound ID :
10531