more general categories    
information about this item 
 
 
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