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03. Biological Effects of Specific Chemicals
03. Biological Effects of Specific Chemicals
dihydroergotamine tartrate [CHEBI:59757] (1)
dihydroergotamine tartrate [CHEBI:59757] (1)
05. Industrial Uses
05. Industrial Uses
dihydroergotamine tartrate [CHEBI:59757] (1)
08. Chemical Category
08. Chemical Category
dihydroergotamine tartrate [CHEBI:59757] (1)
ChEBI Compound Accession Identifier :
[CHEBI:59757]
ChEBI Compound Description :
The L-(+)-tartaric acid salt of dihydroergotamine, a semisynthetic ergot alkaloid with weaker oxytocic and vasoconstrictor properties than ergotamine. Both the tartrate and the mesylate salts are used for the treatment of migraine and orthostatic hypotension.
ChEBI Compound Identification Number :
59757
ChEBI InChI Value :
"InChI=1S/2C33H37N5O5.C4H6O6/c2*1-32(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;5-1(3(7)8)2(6)4(9)10/h2*3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1-2,5-6H,(H,7,8)(H,9,10)/t2*21-,23-,25-,26+,27+,32-,33+;1-,2-/m111/s1"
ChEBI InChIKey Value :
AYYQJUDESMECLY-QCMZQTNXSA-N
ChEBI Compound Name :
dihydroergotamine tartrate
ChEBI SMILES Value :
O[C@H]([C@@H](O)C(O)=O)C(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.[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 :
99319718
ChEBI URL :
ChEBI:59757
ChemSpider ID :
NS
Ontomatica Chemical Accession Key (OnChAKey) :
AYYQJUDESMECLY_QCMZQTNXSA_N_000_000000
PubChem Compound ID :
3037136