The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

dihydroergotamine

Synonyms

9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione

C33H37N5O5

dihydroergotamine

dihidroergotamina

(10alphaH)-5'alpha-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman

5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman

9,10-dihydroergotamine

Dihydroergotamine

dihydroergotaminum

(2R,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),9,12,14-tetraene-4-carboxamide

ID

http://purl.obolibrary.org/obo/CHEBI_4562

activates

http://purl.obolibrary.org/obo/dinto_2858

http://purl.obolibrary.org/obo/dinto_0648

http://purl.obolibrary.org/obo/dinto_3332

http://purl.obolibrary.org/obo/dinto_1135

AHFScode

12:16.00

altId

CHEBI:658566

CHEBI:4826

ATCCode

N02CA01

binds

http://purl.obolibrary.org/obo/dinto_0901

http://purl.obolibrary.org/obo/dinto_1440

http://purl.obolibrary.org/obo/dinto_2858

http://purl.obolibrary.org/obo/dinto_3332

http://purl.obolibrary.org/obo/dinto_0648

http://purl.obolibrary.org/obo/dinto_1135

CASRN

6190-39-2

DBBrand

d.h.e.

ergotonin

orstanorm

verladyn

ergomimet

ergont

tonopres

dhe-45

dihydergot

det ms

d.h.e. 45

dirgotarl

morena

dergotamine

migranal

endophleban

ikaran

angionorm

agit

diergo

DBname

dihydroergotamine

DBSynonym

dihydroergotaminum [inn-latin]

dihydroergotamine methanesulfonate

dihydroergotamine mesylate

9,10-dihydro-ergotamine

dihidroergotamina [inn-spanish]

dihydroergotamine monomethanesulfonate

Definition

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.

has effect

http://purl.obolibrary.org/obo/OAE_0000388

http://purl.obolibrary.org/obo/OAE_0000395

http://purl.obolibrary.org/obo/OAE_0001285

http://purl.obolibrary.org/obo/OAE_0000453

http://purl.obolibrary.org/obo/OAE_0001373

http://purl.obolibrary.org/obo/OAE_0000597

http://purl.obolibrary.org/obo/OAE_0000557

http://purl.obolibrary.org/obo/OAE_0000391

http://purl.obolibrary.org/obo/OAE_0000376

http://purl.obolibrary.org/obo/OAE_0000492

http://purl.obolibrary.org/obo/OAE_0000198

http://purl.obolibrary.org/obo/OAE_0000561

http://purl.obolibrary.org/obo/OAE_0000567

http://purl.obolibrary.org/obo/OAE_0000373

http://purl.obolibrary.org/obo/OAE_0000319

http://purl.obolibrary.org/obo/OAE_0000021

http://purl.obolibrary.org/obo/OAE_0000317

http://purl.obolibrary.org/obo/OAE_0000333

http://purl.obolibrary.org/obo/OAE_0000382

http://purl.obolibrary.org/obo/OAE_0000600

http://purl.obolibrary.org/obo/OAE_0000310

http://purl.obolibrary.org/obo/OAE_0000050

http://purl.obolibrary.org/obo/OAE_0000426

http://purl.obolibrary.org/obo/OAE_0001538

http://purl.obolibrary.org/obo/OAE_0000403

http://purl.obolibrary.org/obo/OAE_0000770

http://purl.obolibrary.org/obo/OAE_0000601

http://purl.obolibrary.org/obo/OAE_0000375

http://purl.obolibrary.org/obo/OAE_0000300

http://purl.obolibrary.org/obo/OAE_0000551

http://purl.obolibrary.org/obo/OAE_0001200

http://purl.obolibrary.org/obo/OAE_0000510

http://purl.obolibrary.org/obo/OAE_0000584

http://purl.obolibrary.org/obo/OAE_0002206

http://purl.obolibrary.org/obo/OAE_0000473

http://purl.obolibrary.org/obo/OAE_0000607

http://purl.obolibrary.org/obo/OAE_0000355

http://purl.obolibrary.org/obo/OAE_0000038

http://purl.obolibrary.org/obo/OAE_0000034

http://purl.obolibrary.org/obo/OAE_0000166

http://purl.obolibrary.org/obo/OAE_0002122

http://purl.obolibrary.org/obo/OAE_0000460

http://purl.obolibrary.org/obo/OAE_0000508

http://purl.obolibrary.org/obo/OAE_0000401

http://purl.obolibrary.org/obo/OAE_0000343

http://purl.obolibrary.org/obo/OAE_0000505

http://purl.obolibrary.org/obo/OAE_0000385

http://purl.obolibrary.org/obo/OAE_0000396

http://purl.obolibrary.org/obo/OAE_0000390

http://purl.obolibrary.org/obo/OAE_0000362

http://purl.obolibrary.org/obo/OAE_0000470

http://purl.obolibrary.org/obo/OAE_0001291

http://purl.obolibrary.org/obo/OAE_0000374

http://purl.obolibrary.org/obo/OAE_0000346

http://purl.obolibrary.org/obo/OAE_0000462

http://purl.obolibrary.org/obo/OAE_0000358

http://purl.obolibrary.org/obo/OAE_0001309

http://purl.obolibrary.org/obo/OAE_0000534

http://purl.obolibrary.org/obo/OAE_0000402

http://purl.obolibrary.org/obo/OAE_0000350

has pharmacological target

http://purl.obolibrary.org/obo/dinto_2858

http://purl.obolibrary.org/obo/dinto_3332

has role

http://purl.obolibrary.org/obo/CHEBI_51065

http://purl.obolibrary.org/obo/CHEBI_66991

http://purl.obolibrary.org/obo/CHEBI_35941

http://purl.obolibrary.org/obo/CHEBI_35481

http://purl.obolibrary.org/obo/CHEBI_50514

InChI

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

InChIKey

InChIKey=LUZRJRNZXALNLM-JGRZULCMSA-N

inhibits

http://purl.obolibrary.org/obo/dinto_0901

http://purl.obolibrary.org/obo/dinto_1440

is metabolised by

http://purl.obolibrary.org/obo/dinto_0901

is substrate of

http://purl.obolibrary.org/obo/dinto_0901

label

dihydroergotamine

may interact with

http://purl.obolibrary.org/obo/CHEBI_8214

http://purl.obolibrary.org/obo/CHEBI_119486

http://purl.obolibrary.org/obo/CHEBI_32250

http://purl.obolibrary.org/obo/CHEBI_9943

http://purl.obolibrary.org/obo/CHEBI_119573

http://purl.obolibrary.org/obo/CHEBI_3437

http://purl.obolibrary.org/obo/CHEBI_68621

http://purl.obolibrary.org/obo/CHEBI_37924

http://purl.obolibrary.org/obo/dinto_DB00224

http://purl.obolibrary.org/obo/dinto_DB00196

http://purl.obolibrary.org/obo/CHEBI_8499

http://purl.obolibrary.org/obo/CHEBI_520985

http://purl.obolibrary.org/obo/CHEBI_40050

http://purl.obolibrary.org/obo/CHEBI_4856

http://purl.obolibrary.org/obo/dinto_DB00726

http://purl.obolibrary.org/obo/CHEBI_63622

http://purl.obolibrary.org/obo/CHEBI_3127

http://purl.obolibrary.org/obo/CHEBI_7494

http://purl.obolibrary.org/obo/CHEBI_68595

http://purl.obolibrary.org/obo/dinto_DB00373

http://purl.obolibrary.org/obo/CHEBI_238698

http://purl.obolibrary.org/obo/CHEBI_48273

http://purl.obolibrary.org/obo/CHEBI_10650

http://purl.obolibrary.org/obo/dinto_DB01167

http://purl.obolibrary.org/obo/CHEBI_7478

http://purl.obolibrary.org/obo/CHEBI_3441

http://purl.obolibrary.org/obo/CHEBI_63621

http://purl.obolibrary.org/obo/CHEBI_9654

http://purl.obolibrary.org/obo/dinto_DB00582

http://purl.obolibrary.org/obo/CHEBI_2904

http://purl.obolibrary.org/obo/dinto_DB01361

http://purl.obolibrary.org/obo/dinto_DB01359

http://purl.obolibrary.org/obo/CHEBI_5138

http://purl.obolibrary.org/obo/CHEBI_10112

http://purl.obolibrary.org/obo/CHEBI_28787

http://purl.obolibrary.org/obo/CHEBI_60072

http://purl.obolibrary.org/obo/CHEBI_3732

http://purl.obolibrary.org/obo/CHEBI_6904

http://purl.obolibrary.org/obo/CHEBI_64355

http://purl.obolibrary.org/obo/CHEBI_55344

http://purl.obolibrary.org/obo/CHEBI_2379

http://purl.obolibrary.org/obo/dinto_DB00752

http://purl.obolibrary.org/obo/CHEBI_63628

http://purl.obolibrary.org/obo/CHEBI_3082

http://purl.obolibrary.org/obo/dinto_DB01105

http://purl.obolibrary.org/obo/dinto_DB01580

http://purl.obolibrary.org/obo/dinto_DB00199

http://purl.obolibrary.org/obo/CHEBI_7444

http://purl.obolibrary.org/obo/dinto_DB00503

http://purl.obolibrary.org/obo/CHEBI_6062

http://purl.obolibrary.org/obo/CHEBI_6061

http://purl.obolibrary.org/obo/dinto_DB01319

http://purl.obolibrary.org/obo/CHEBI_31739

http://purl.obolibrary.org/obo/CHEBI_10124

http://purl.obolibrary.org/obo/CHEBI_6343

http://purl.obolibrary.org/obo/dinto_DB01026

http://purl.obolibrary.org/obo/CHEBI_50922

http://purl.obolibrary.org/obo/dinto_DB00220

http://purl.obolibrary.org/obo/dinto_DB00998

http://purl.obolibrary.org/obo/CHEBI_258351

http://purl.obolibrary.org/obo/dinto_DB00976

http://purl.obolibrary.org/obo/CHEBI_5118

http://purl.obolibrary.org/obo/dinto_DB06700

modulates

http://purl.obolibrary.org/obo/dinto_2858

http://purl.obolibrary.org/obo/dinto_0648

http://purl.obolibrary.org/obo/dinto_3332

http://purl.obolibrary.org/obo/dinto_1135

prefixIRI

obo2:CHEBI_4562

prefLabel

dihydroergotamine

SMILES

[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@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)O[C@@]21O

Synonym

9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione

C33H37N5O5

dihydroergotamine

dihidroergotamina

(10alphaH)-5'alpha-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman

5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman

9,10-dihydroergotamine

Dihydroergotamine

dihydroergotaminum

(2R,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),9,12,14-tetraene-4-carboxamide

xref

Wikipedia:http://en.wikipedia.org/wiki/Dihydroergotamine

CASRN:511-12-6

ChemSpider:10091

PubChem Compound:10531

DrugBank:DB00320

PDRhealth:http://www.pdrhealth.com/drug_info/rxdrugprofiles/drugs/mig1267.shtml

CiteXplore:8145914

KEGG DRUG:D07837

Wikipedia:Dihydroergotamine

NIST Chemistry WebBook:511-12-6

Drugs.com:http://www.drugs.com/cdi/dihydroergotamine.html

KEGG COMPOUND:C07798

RxList:http://www.rxlist.com/cgi/generic2/dihyergmes.htm

PubChem Substance:46507711

National Drug Code Directory:0574-0850-05

Drugs Product Database (DPD):2241163

ChEBI:4562

PharmGKB:PA164743028

Beilstein:78887

CiteXplore:20132337

CiteXplore:10954953

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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Delete Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_4562 FIDEO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4562 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4562 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4562 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4562 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4562 NIFSTD SAME_URI
https://go.drugbank.com/drugs/DB00320 MDM LOOM
http://stirdf.jst.go.jp/id/200907007411681909 IOBC LOOM
http://purl.bioontology.org/ontology/VANDF/4019721 VANDF LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D004087 RH-MESH LOOM
http://purl.bioontology.org/ontology/MESH/D004087 MESH LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.549.562.300 RH-MESH LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C65387 NCIT LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/387267005 SNOMEDCT LOOM
http://ontology.apa.org/apaonto/termsonlyOUT%20(5).owl#Dihydroergotamine APAONTO LOOM
http://purl.jp/bio/4/id/200906034010187530 IOBC LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#3949 OCHV LOOM
http://purl.bioontology.org/ontology/SNMI/C-68410 SNMI LOOM
http://purl.obolibrary.org/obo/NCIT_C65387 BERO LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.132.327.412.225 RH-MESH LOOM
http://purl.obolibrary.org/obo/MESH_D004087 BERO LOOM
http://purl.obolibrary.org/obo/OMIT_0005353 OMIT LOOM
http://purl.bioontology.org/ontology/RXNORM/3418 RXNORM LOOM
http://purl.bioontology.org/ontology/ATC/N02CA01 ATC LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0012291 OCHV LOOM
http://purl.bioontology.org/ontology/RCD/dlB.. RCD LOOM
http://purl.obolibrary.org/obo/CHEBI_4826 NIFSTD LOOM
http://www.co-ode.org/ontologies/galen#Dihydroergotamine GALEN LOOM
http://www.phoc.org.cn/pmo/class/PMO_00018014 PMAPP-PMO LOOM
http://www.drugbank.ca/drugs/DB00320 FTC LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000147813 NDFRT LOOM
http://purl.obolibrary.org/obo/CHEBI_4562 FIDEO LOOM
http://purl.obolibrary.org/obo/CHEBI_4562 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_4562 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_4562 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_4562 NIFSTD LOOM