Ergotamine

Structure of Ergotamine
Synonyms
  • Ergotamin
  • Ergonsvine
  • Ergotamina
  • ergotaminum
  • 12'-Hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione
  • (5'alpha)-12'-Hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione
  • Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'-alpha)-
  • (4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide
  • (6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
  • Ergo Kranit
  • Mono, Ergodryl
  • (4R,7R)-N-((1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo(7.3.0.0^(2,6))dodecan-4-yl)-6-methyl-6,11-diazatetracyclo(7.6.1.0^(2,7).0^(12,16))hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide
9 more
  • (6aR,9R)-N-((1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo(7.3.0.02,6)dodecan-4-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo(4,3-fg)quinoline-9-carboxamide
  • (4R,7R)-N-((1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo(7.3.0.02,6)dodecan-4-yl)-6-methyl-6,11-diazatetracyclo(7.6.1.02,7.012,16)hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide
  • Gynergen
  • Ergomar
  • Ergotamine (INN)
  • 5'alpha-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman
  • ERM
  • (5'α)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione
  • 12'-hydroxy-2'-methyl-5'α-(phenylmethyl)ergotaman-3',6',18-trione
German
  • Ergotamin
Czech
  • ergotamin
CAS
Common Chemistry
PubChem CID
8223
InChIKey
SMILES
InChI
Wikidata
Q419186
ChEBI
CHEBI:64318
ChEMBL
CHEMBL442
DrugBank
DB00696
EPA DSSTox
DTXSID9043774
FDA UNII
PR834Q503T
KEGG
C07544 D07906
HMDB
HMDB0014834
Nikkaji
DEA code
DEA list I chemical
HTS code
EC number
CAS (related form)
113-15-5 FREE BASE 379-79-3 2:1 tartrate salt
CAS (deprecated)
1080650-16-3 6915-20-4 98260-30-1
  • LSD (INCB_Red_List;EU_Scheduled_Precursors;UK_Drug_Precursors;DEA_List_I)

Closest structural neighbours by Tanimoto similarity over ECFP