The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

buprenorphine

Synonyms

buprenorphinum

C29H41NO4

17-cyclopropylmethyl-4,5alpha-epoxy-7alpha-((S)-1-hydroxy-1,2,2-trimethylpropyl)-6-methoxy-6,14-endo-ethanomorphinan-3-ol

(1S,2R,6S,14R,15R,16R)-3-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.1^{2,8}.0^{1,6}.0^{6,14}.0^{7,12}]icosa-7,9,11-trien-11-ol

2-(N-cyclopropylmethyl-4,5alpha-epoxy-3-hydroxy-6-methoxy-6,14-endo-ethanomorphinan-6alpha-yl)-3,3-dimethyl-2-butanol

(-)-buprenorphine

(5alpha,6beta,14beta,18R)-17-(cyclopropylmethyl)-18-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol

Buprenorphine

21-cyclopropyl-7alpha-[(S)-1-hydroxy-1,2,2-trimethylpropyl]-6,14-endo-ethano-6,7,8,14-tetrahydrooripavine

2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(14R)-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11-trien-16-yl]-3,3-dimethyl-2-butanol

buprenorphine

buprenorfina

ID

http://purl.obolibrary.org/obo/CHEBI_3216

AHFScode

28:08.12

altId

CHEBI:143179

CHEBI:489640

CHEBI:453763

CHEBI:166254

CHEBI:656608

ATCCode

N02AE01

N07BC01

blocks

http://purl.obolibrary.org/obo/dinto_0760

http://purl.obolibrary.org/obo/dinto_3960

CASRN

52485-79-7

DBBrand

buprenex

probuphine

temgesic

subutex

butrans

buprel

DBname

buprenorphine

DBSalt

buprenorphine hydrochloride

DBSynonym

buprenorfina [inn-spanish]

buprenorphinum [inn-latin]

buprenophine

Definition

A morphinane alkaloid that is 7,8-dihydromorphine 6-O-methyl ether in which positions 6 and 14 are joined by a -CH2CH2- bridge, one of the hydrogens of the N-methyl group is substituted by cyclopropyl, and a hydrogen at position 7 is substituted by a 2-hydroxy-3,3-dimethylbutan-2-yl group.

has effect

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

http://purl.obolibrary.org/obo/OAE_0000447

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_0000081

http://purl.obolibrary.org/obo/OAE_0000604

http://purl.obolibrary.org/obo/OAE_0000377

http://purl.obolibrary.org/obo/OAE_0001045

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

http://purl.obolibrary.org/obo/OAE_0000839

http://purl.obolibrary.org/obo/OAE_0000218

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

http://purl.obolibrary.org/obo/OAE_0000479

http://purl.obolibrary.org/obo/OAE_0000406

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

http://purl.obolibrary.org/obo/OAE_0001509

http://purl.obolibrary.org/obo/OAE_0001167

http://purl.obolibrary.org/obo/OAE_0000411

http://purl.obolibrary.org/obo/OAE_0000512

http://purl.obolibrary.org/obo/OAE_0000308

http://purl.obolibrary.org/obo/OAE_0001489

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

http://purl.obolibrary.org/obo/OAE_0000549

http://purl.obolibrary.org/obo/OAE_0000545

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_0000412

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

http://purl.obolibrary.org/obo/OAE_0001370

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

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

http://purl.obolibrary.org/obo/OAE_0000365

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_0000883

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_0000455

http://purl.obolibrary.org/obo/OAE_0000498

http://purl.obolibrary.org/obo/OAE_0000327

http://purl.obolibrary.org/obo/OAE_0000526

http://purl.obolibrary.org/obo/OAE_0001068

http://purl.obolibrary.org/obo/OAE_0000587

http://purl.obolibrary.org/obo/OAE_0000400

http://purl.obolibrary.org/obo/OAE_0000086

http://purl.obolibrary.org/obo/OAE_0000586

http://purl.obolibrary.org/obo/OAE_0000645

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

http://purl.obolibrary.org/obo/OAE_0000842

http://purl.obolibrary.org/obo/OAE_0000643

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

http://purl.obolibrary.org/obo/OAE_0000894

http://purl.obolibrary.org/obo/OAE_0000243

http://purl.obolibrary.org/obo/OAE_0000864

http://purl.obolibrary.org/obo/OAE_0000414

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

http://purl.obolibrary.org/obo/OAE_0000469

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

http://purl.obolibrary.org/obo/OAE_0001164

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_0000344

http://purl.obolibrary.org/obo/OAE_0000606

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

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

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

http://purl.obolibrary.org/obo/OAE_0000536

http://purl.obolibrary.org/obo/OAE_0000898

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

http://purl.obolibrary.org/obo/OAE_0000306

http://purl.obolibrary.org/obo/OAE_0001336

http://purl.obolibrary.org/obo/OAE_0000022

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

http://purl.obolibrary.org/obo/OAE_0000491

http://purl.obolibrary.org/obo/OAE_0000602

http://purl.obolibrary.org/obo/OAE_0000336

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

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

http://purl.obolibrary.org/obo/OAE_0000347

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

http://purl.obolibrary.org/obo/OAE_0000296

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

http://purl.obolibrary.org/obo/OAE_0000881

http://purl.obolibrary.org/obo/OAE_0000394

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

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

http://purl.obolibrary.org/obo/OAE_0000890

http://purl.obolibrary.org/obo/OAE_0000885

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

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

has pharmacological target

http://purl.obolibrary.org/obo/dinto_2787

http://purl.obolibrary.org/obo/dinto_3960

has role

http://purl.obolibrary.org/obo/CHEBI_55322

http://purl.obolibrary.org/obo/CHEBI_59283

http://purl.obolibrary.org/obo/CHEBI_59282

http://purl.obolibrary.org/obo/CHEBI_35482

InChI

InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1

InChIKey

InChIKey=RMRJXGBAOAMLHD-IHFGGWKQSA-N

inhibits

http://purl.obolibrary.org/obo/dinto_2651

http://purl.obolibrary.org/obo/dinto_0883

http://purl.obolibrary.org/obo/dinto_2993

http://purl.obolibrary.org/obo/dinto_0291

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

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

http://purl.obolibrary.org/obo/dinto_2496

is metabolised by

http://purl.obolibrary.org/obo/dinto_2058

http://purl.obolibrary.org/obo/dinto_2990

http://purl.obolibrary.org/obo/dinto_2993

http://purl.obolibrary.org/obo/dinto_0265

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

http://purl.obolibrary.org/obo/dinto_1956

http://purl.obolibrary.org/obo/dinto_1959

http://purl.obolibrary.org/obo/dinto_1221

label

buprenorphine

may interact with

http://purl.obolibrary.org/obo/CHEBI_71417

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

http://purl.obolibrary.org/obo/CHEBI_4717

http://purl.obolibrary.org/obo/dinto_DB00780

http://purl.obolibrary.org/obo/CHEBI_681850

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

http://purl.obolibrary.org/obo/dinto_DB00427

http://purl.obolibrary.org/obo/dinto_DB01247

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

http://purl.obolibrary.org/obo/CHEBI_63607

http://purl.obolibrary.org/obo/dinto_DB01171

http://purl.obolibrary.org/obo/CHEBI_63620

http://purl.obolibrary.org/obo/dinto_DB01037

http://purl.obolibrary.org/obo/dinto_DB06274

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

prefixIRI

obo2:CHEBI_3216

prefLabel

buprenorphine

related with

http://purl.obolibrary.org/obo/dinto_2787

SMILES

[H][C@@]1(C[C@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5C[C@H]2N(CC[C@@]31c45)CC1CC1)[C@](C)(O)C(C)(C)C

CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1CC4=C5C(O[C@@H]2[C@@]35CCN1CC1CC1)=C(O)C=C4

Synonym

buprenorphinum

C29H41NO4

17-cyclopropylmethyl-4,5alpha-epoxy-7alpha-((S)-1-hydroxy-1,2,2-trimethylpropyl)-6-methoxy-6,14-endo-ethanomorphinan-3-ol

(1S,2R,6S,14R,15R,16R)-3-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.1^{2,8}.0^{1,6}.0^{6,14}.0^{7,12}]icosa-7,9,11-trien-11-ol

2-(N-cyclopropylmethyl-4,5alpha-epoxy-3-hydroxy-6-methoxy-6,14-endo-ethanomorphinan-6alpha-yl)-3,3-dimethyl-2-butanol

(-)-buprenorphine

(5alpha,6beta,14beta,18R)-17-(cyclopropylmethyl)-18-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol

Buprenorphine

21-cyclopropyl-7alpha-[(S)-1-hydroxy-1,2,2-trimethylpropyl]-6,14-endo-ethano-6,7,8,14-tetrahydrooripavine

2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(14R)-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11-trien-16-yl]-3,3-dimethyl-2-butanol

buprenorphine

buprenorfina

xref

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

ChEBI:3216

KEGG DRUG:D07132

ChEMBL:16650985

PubChem Substance:46505782

DrugBank:DB00921

PubChem Compound:40400

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

PharmGKB:PA448685

Beilstein:6182863

ChEMBL:17887741

Patent:GB1136214

RxList:http://www.rxlist.com/cgi/generic3/suboxone.htm

ChEMBL:10649968

KEGG COMPOUND:C08007

CASRN:52485-79-7

National Drug Code Directory:12496-0757-1

Patent:US3433791

subClassOf

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

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Delete Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_3216 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3216 FIDEO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3216 HOIP SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3216 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3216 TXPO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3216 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3216 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3216 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3216 NIFSTD SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3216 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_3216 FIDEO LOOM
http://purl.obolibrary.org/obo/CHEBI_3216 HOIP LOOM
http://purl.obolibrary.org/obo/CHEBI_3216 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_3216 TXPO LOOM
http://purl.obolibrary.org/obo/CHEBI_3216 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_3216 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_3216 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_3216 NIFSTD LOOM
http://purl.bioontology.org/ontology/LNC/MTHU006723 LOINC LOOM
http://www.gamuts.net/entity#buprenorphine GAMUTS LOOM
http://purl.bioontology.org/ontology/RCD/dj3.. RCD LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0006405 OCHV LOOM
http://purl.bioontology.org/ontology/VANDF/4019644 VANDF LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000147737 NDFRT LOOM
http://purl.bioontology.org/ontology/MESH/D002047 MESH LOOM
http://stirdf.jst.go.jp/id/200907021361079393 IOBC LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#2227 OCHV LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.605.497.150 RH-MESH LOOM
https://go.drugbank.com/drugs/DB00921 MDM LOOM
http://purl.jp/bio/4/id/200906075148978928 IOBC LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C61656 NCIT LOOM
http://purl.bioontology.org/ontology/ATC/N02AE01 ATC LOOM
http://www.co-ode.org/ontologies/galen#Buprenorphine GALEN LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.132.577.249.150 RH-MESH LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D04.615.723.795.150 RH-MESH LOOM
http://purl.bioontology.org/ontology/LNC/LP16054-6 LOINC LOOM
http://purl.bioontology.org/ontology/NDDF/004632 NDDF LOOM
http://purl.obolibrary.org/obo/NCIT_C61656 BERO LOOM
http://www.phoc.org.cn/pmo/class/PMO_00018022 PMAPP-PMO LOOM
http://purl.bioontology.org/ontology/ATC/N07BC01 ATC LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D002047 RH-MESH LOOM
http://purl.bioontology.org/ontology/RXNORM/1819 RXNORM LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/387173000 SNOMEDCT LOOM
http://purl.obolibrary.org/obo/MESH_D002047 BERO LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.549.686.150 RH-MESH LOOM
http://purl.bioontology.org/ontology/SNMI/C-60A10 SNMI LOOM
http://www.drugbank.ca/drugs/DB00921 FTC LOOM
http://purl.bioontology.org/ontology/CSP/0092-7100 CRISP LOOM
http://purl.bioontology.org/ontology/CPT/80348 CPT LOOM
http://purl.obolibrary.org/obo/OMIT_0003396 OMIT LOOM