Wikidata entity: Q419186

C₃₃H₃₅N₅O₅ (P274)




Wikimedia Commons category is Ergotamine

Quantities

P4250defined daily dose4
P2067mass581.264

P3780 active ingredient in ... Q47521561 (Ergomar) Ergomar
P233 canonical SMILES String CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C ???
P373 Commons category String Ergotamine ???
P1343 described by source ... Q602358 (Brockhaus and Efron Encyclopedic Dictionary) Brockhaus and Efron Encyclopedic Dictionary
P703 found in taxon ... Q157885 (Festuca ovina) Festuca ovina
P703 found in taxon ... Q159702 (Festuca rubra) Festuca rubra
P703 found in taxon ... Q161791 (Festuca pratensis) Festuca pratensis
P703 found in taxon ... Q217227 (Claviceps purpurea) Claviceps purpurea
P703 found in taxon ... Q157922 (Festuca arundinacea) Festuca arundinacea
P703 found in taxon ... Q3837934 (Claviceps fusiformis) Claviceps fusiformis
P703 found in taxon ... Q4925284 (Cenchrus echinatus) Cenchrus echinatus
P527 has part(s) ... Q627 (nitrogen) nitrogen
P527 has part(s) ... Q623 (carbon) carbon
P366 has use ... Q12140 (medication) medication
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C ???
P2175 medical condition treated ... Q133823 (migraine) migraine
P129 physically interacts with ... Q1949517 (5-hydroxytryptamine receptor 2A) 5-hydroxytryptamine receptor 2A
P129 physically interacts with ... Q4639596 (5-hydroxytryptamine receptor 2B) 5-hydroxytryptamine receptor 2B
P129 physically interacts with ... Q21109359 (5-hydroxytryptamine receptor 5A) 5-hydroxytryptamine receptor 5A
P129 physically interacts with ... Q21109363 (5-hydroxytryptamine receptor 6) 5-hydroxytryptamine receptor 6
P129 physically interacts with ... Q21115046 (5-hydroxytryptamine receptor 1D) 5-hydroxytryptamine receptor 1D
P129 physically interacts with ... Q21115051 (5-hydroxytryptamine receptor 1E) 5-hydroxytryptamine receptor 1E
P129 physically interacts with ... Q21115052 (5-hydroxytryptamine receptor 1F) 5-hydroxytryptamine receptor 1F
P129 physically interacts with ... Q21497937 (5-hydroxytryptamine (serotonin) receptor 5A) 5-hydroxytryptamine (serotonin) receptor 5A
P129 physically interacts with ... Q21497939 (5-hydroxytryptamine (serotonin) receptor 7) 5-hydroxytryptamine (serotonin) receptor 7
P129 physically interacts with ... Q21108118 (5-hydroxytryptamine receptor 2C) 5-hydroxytryptamine receptor 2C
P3489 pregnancy category ... Q28123619 (US pregnancy category X) US pregnancy category X
P769 significant drug interaction ... Q118551 (clarithromycin) clarithromycin
P769 significant drug interaction ... Q212171 (rizatriptan) rizatriptan
P769 significant drug interaction ... Q213511 (erythromycin) erythromycin
P769 significant drug interaction ... Q407883 (ketoconazole) ketoconazole
P769 significant drug interaction ... Q409729 (almotriptan) almotriptan
P769 significant drug interaction ... Q422618 (ritonavir) ritonavir
P769 significant drug interaction ... Q422654 (saquinavir) saquinavir
P769 significant drug interaction ... Q423364 (propranolol) propranolol
P769 significant drug interaction ... Q906453 (posaconazole) posaconazole
P769 significant drug interaction ... Q411229 (itraconazole) itraconazole
P769 significant drug interaction ... Q412236 (voriconazole) voriconazole
P769 significant drug interaction ... Q415032 (eletriptan) eletriptan
P769 significant drug interaction ... Q2736135 (telithromycin) telithromycin
P769 significant drug interaction ... Q3765251 (darunavir) darunavir
P769 significant drug interaction ... Q423366 (nelfinavir) nelfinavir
P769 significant drug interaction ... Q423404 (tipranavir) tipranavir
P769 significant drug interaction ... Q423467 (atazanavir) atazanavir
P769 significant drug interaction ... Q425490 (indinavir) indinavir
P769 significant drug interaction ... Q425963 (oxprenolol) oxprenolol
P769 significant drug interaction ... Q416978 (sumatriptan) sumatriptan
P769 significant drug interaction ... Q421315 (naratriptan) naratriptan
P769 significant drug interaction ... Q422198 (amprenavir) amprenavir
P769 significant drug interaction ... Q422585 (lopinavir) lopinavir
P769 significant drug interaction ... Q5138908 (cobicistat) cobicistat
P769 significant drug interaction ... Q5186964 (crizotinib) crizotinib
P769 significant drug interaction ... Q5908266 (idelalisib) idelalisib
P3364 stereoisomer of ... Q27270079 (ergotaminine) ergotaminine
P279 subclass of ... Q193430 (heterocyclic compound) heterocyclic compound
P279 subclass of ... Q49873234 (ergoline alkaloid) ergoline alkaloid
P279 subclass of ... Q49873787 (ergotamines) ergotamines
P279 subclass of ... Q109476791 (biogenic 2,5-diketopiperazine) biogenic 2,5-diketopiperazine
P2868 subject has role ... Q1747785 (non-opioid analgesic) non-opioid analgesic
P2868 subject has role ... Q3359124 (vasoconstrictor agents) vasoconstrictor agents
P2868 subject has role ... Q4734924 (alpha-adrenergic agonist) alpha-adrenergic agonist
P2868 subject has role ... Q50430113 (oxytocics) oxytocics
P2868 subject has role ... Q50430363 (Adrenergic alpha-1 Receptor Agonists) Adrenergic alpha-1 Receptor Agonists
P2868 subject has role ... Q7455047 (serotonin antagonist) serotonin antagonist
P2868 subject has role ... Q7455050 (serotonin receptor agonists) serotonin receptor agonists
P2275 World Health Organisation international non-proprietary name Monolingualtext ergotamine ???
External Ids
P267ATC codeN02CA02
P508BNCF Thesaurus ID50399
P231CAS Registry Number113-15-5
P683ChEBI ID64318
P592ChEMBL IDCHEMBL442
P661ChemSpider ID7930
P9272DeCS ID4961
P715DrugBank IDDB00696
P11198DrugCentral ID1043
P8494DSSTOX compound identifierDTXCID7023774
P3117DSSTox substance IDDTXSID9043774
P232EC number204-023-9
P2566ECHA Substance Infocard ID100.003.658
P4746Elhuyar ZTH ID023088
P1417Encyclopædia Britannica Online IDscience/ergotamine
P646Freebase ID/m/025tsp3
P12385Gran Enciclopèdia Catalana IDergotamina
P1296Gran Enciclopèdia Catalana ID (former scheme)0103882
P595Guide to Pharmacology Ligand ID149
P2062HSDB ID4076
P2057Human Metabolome Database IDHMDB0014834
P234InChIInChI=1S/C33H35N5O5/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/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1
P235InChIKeyXCGSFFUVFURLIX-VFGNJEKYSA-N
P8408KBpedia IDErgotamineTartrate
P665KEGG IDC07544
P665KEGG IDD07906
P6689MassBank accession IDMSBNK-AAFC-AC000342
P6689MassBank accession IDMSBNK-AAFC-AC000343
P6689MassBank accession IDMSBNK-AAFC-AC000344
P6689MassBank accession IDMSBNK-AAFC-AC000345
P6689MassBank accession IDMSBNK-AAFC-AC000346
P6689MassBank accession IDMSBNK-Waters-WA001645
P6689MassBank accession IDMSBNK-Waters-WA001646
P6689MassBank accession IDMSBNK-Waters-WA001647
P6689MassBank accession IDMSBNK-Waters-WA001648
P6689MassBank accession IDMSBNK-Waters-WA001649
P6689MassBank accession IDMSBNK-Waters-WA001650
P6694MeSH concept IDM0007662
P486MeSH descriptor IDD004878
P672MeSH tree codeD03.132.327.412.400
P672MeSH tree codeD03.633.400.562.500
P6366Microsoft Academic ID (discontinued)2779929513
P2115NDF-RT IDN0000020412
P2840NSC number95090
P7305Online PWN Encyclopedia ID3898449
P10283OpenAlex IDC2779929513
P4235PatientsLikeMe treatment IDergotamine
P3636PDB ligand IDERM
P638PDB structure ID4NC3
P638PDB structure ID4IB4
P638PDB structure ID4IAR
P11199Probes And Drugs IDPD009841
P662PubChem CID8223
P1579Reaxys registry number78890
P3345RxNorm CUI4025
P2877SureChEMBL ID1483
P2892UMLS CUIC0014710
P11089UniChem compound ID398227
P652UNIIPR834Q503T
P11143WikiProjectMed IDErgotamine
P8814WordNet 3.1 Synset ID14738189-n

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