The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

ertapenem

Synonyms

ERTAPENEM

(1R,5S,6S,8R,2'S,4'S)-2-(2-(3-carboxyphenylcarbamoyl)pyrrolidin-4-ylthio)-6-(1-hydroxyethyl)-1-methylcarbapenem-3-carboxylic acid

ertapenem

(4R,5S,6S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

(4R,5S,6S)-3-((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-ylthio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid

(4R,5S,6S)-3-{[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

C22H25N3O7S

ID

http://purl.obolibrary.org/obo/CHEBI_404903

AHFScode

08:12.07.08

altId

CHEBI:471574

ATCCode

J01DH03

CASRN

153832-46-3

DBBrand

invanz

DBname

ertapenem

Definition

Meropenem in which the one of the two methyl groups attached to the amide nitrogen is replaced by hydrogen while the other is replaced by a 3-carboxyphenyl group. The sodium salt is used for the treatment of moderate to severe susceptible infections including intra-abdominal and acute gynaecological infections, pneumonia, and infections of the skin and of the urinary tract.

has effect

http://purl.obolibrary.org/obo/OAE_0000599

http://purl.obolibrary.org/obo/OAE_0000081

http://purl.obolibrary.org/obo/OAE_0001057

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

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

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

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

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

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

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

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

http://purl.obolibrary.org/obo/OAE_0000632

http://purl.obolibrary.org/obo/OAE_0000968

http://purl.obolibrary.org/obo/OAE_0000608

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

http://purl.obolibrary.org/obo/OAE_0000920

http://purl.obolibrary.org/obo/OAE_0001461

http://purl.obolibrary.org/obo/OAE_0000659

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

http://purl.obolibrary.org/obo/OAE_0001448

http://purl.obolibrary.org/obo/OAE_0000335

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

http://purl.obolibrary.org/obo/OAE_0000345

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

http://purl.obolibrary.org/obo/OAE_0001449

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

http://purl.obolibrary.org/obo/OAE_0000902

http://purl.obolibrary.org/obo/OAE_0000197

http://purl.obolibrary.org/obo/OAE_0000822

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

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

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

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

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

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

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

http://purl.obolibrary.org/obo/OAE_0001013

http://purl.obolibrary.org/obo/OAE_0000650

http://purl.obolibrary.org/obo/OAE_0001707

http://purl.obolibrary.org/obo/OAE_0001405

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

http://purl.obolibrary.org/obo/OAE_0001340

http://purl.obolibrary.org/obo/OAE_0001339

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

http://purl.obolibrary.org/obo/OAE_0001234

http://purl.obolibrary.org/obo/OAE_0001135

http://purl.obolibrary.org/obo/OAE_0000468

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

http://purl.obolibrary.org/obo/OAE_0001098

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

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

http://purl.obolibrary.org/obo/OAE_0001744

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

http://purl.obolibrary.org/obo/OAE_0000674

http://purl.obolibrary.org/obo/OAE_0000967

http://purl.obolibrary.org/obo/OAE_0000517

http://purl.obolibrary.org/obo/OAE_0000919

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

http://purl.obolibrary.org/obo/OAE_0001400

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

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

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

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

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

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

http://purl.obolibrary.org/obo/OAE_0001217

http://purl.obolibrary.org/obo/OAE_0000194

http://purl.obolibrary.org/obo/OAE_0001298

http://purl.obolibrary.org/obo/OAE_0000084

http://purl.obolibrary.org/obo/OAE_0000103

http://purl.obolibrary.org/obo/OAE_0001429

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

http://purl.obolibrary.org/obo/OAE_0000195

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

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

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

http://purl.obolibrary.org/obo/OAE_0000565

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

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

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

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

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

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

http://purl.obolibrary.org/obo/OAE_0000995

http://purl.obolibrary.org/obo/OAE_0000267

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

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

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

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

http://purl.obolibrary.org/obo/OAE_0001190

http://purl.obolibrary.org/obo/OAE_0001243

http://purl.obolibrary.org/obo/OAE_0001004

http://purl.obolibrary.org/obo/OAE_0000454

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

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

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

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

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

http://purl.obolibrary.org/obo/OAE_0000687

http://purl.obolibrary.org/obo/OAE_0000476

http://purl.obolibrary.org/obo/OAE_0000283

http://purl.obolibrary.org/obo/OAE_0001387

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

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

http://purl.obolibrary.org/obo/OAE_0000211

http://purl.obolibrary.org/obo/OAE_0000660

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

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

http://purl.obolibrary.org/obo/OAE_0000916

http://purl.obolibrary.org/obo/OAE_0000825

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

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

http://purl.obolibrary.org/obo/OAE_0000779

http://purl.obolibrary.org/obo/OAE_0000455

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

http://purl.obolibrary.org/obo/OAE_0000304

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

http://purl.obolibrary.org/obo/OAE_0001145

http://purl.obolibrary.org/obo/OAE_0001356

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

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

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

has pharmacological target

http://purl.obolibrary.org/obo/dinto_1849

http://purl.obolibrary.org/obo/dinto_0081

http://purl.obolibrary.org/obo/dinto_2744

http://purl.obolibrary.org/obo/dinto_2779

http://purl.obolibrary.org/obo/dinto_3995

http://purl.obolibrary.org/obo/dinto_0360

http://purl.obolibrary.org/obo/dinto_3095

http://purl.obolibrary.org/obo/dinto_0071

has role

http://purl.obolibrary.org/obo/CHEBI_36047

InChI

InChI=1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1

InChIKey

InChIKey=JUZNIMUFDBIJCM-ANEDZVCMSA-N

inhibits

http://purl.obolibrary.org/obo/dinto_1849

http://purl.obolibrary.org/obo/dinto_0081

http://purl.obolibrary.org/obo/dinto_2744

http://purl.obolibrary.org/obo/dinto_2779

http://purl.obolibrary.org/obo/dinto_3995

http://purl.obolibrary.org/obo/dinto_0360

http://purl.obolibrary.org/obo/dinto_3095

http://purl.obolibrary.org/obo/dinto_0071

label

ertapenem

prefixIRI

obo2:CHEBI_404903

prefLabel

ertapenem

SMILES

[H][C@]1(CN[C@@]([H])(C1)C(=O)Nc1cccc(c1)C(O)=O)SC1=C(N2C(=O)[C@]([H])([C@@H](C)O)[C@@]2([H])[C@H]1C)C(O)=O

[H][C@]12[C@@H](C)C(S[C@]3([H])CN[C@@]([H])(C3)C(=O)NC3=CC=CC(=C3)C(O)=O)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O

Synonym

ERTAPENEM

(1R,5S,6S,8R,2'S,4'S)-2-(2-(3-carboxyphenylcarbamoyl)pyrrolidin-4-ylthio)-6-(1-hydroxyethyl)-1-methylcarbapenem-3-carboxylic acid

ertapenem

(4R,5S,6S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

(4R,5S,6S)-3-((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-ylthio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid

(4R,5S,6S)-3-{[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

C22H25N3O7S

xref

PubChem Compound:150610

National Drug Code Directory:0006-3845-71

Beilstein:9025520

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

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

Drugs Product Database (DPD):2247437

Patent:WO9315078

Wikipedia:Ertapenem

PubChem Substance:46506508

ChEBI:404903

KEGG DRUG:D07908

PharmGKB:PA164777032

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

ChemSpider:132758

CASRN:153832-46-3

DrugBank:DB00303

Patent:US5478820

subClassOf

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

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http://purl.obolibrary.org/obo/DRON_00018560 DRON LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C61752 NCIT LOOM
http://purl.bioontology.org/ontology/UATC/J01DH03 ATC LOOM
http://purl.bioontology.org/ontology/NDDF/009554 NDDF LOOM
http://purl.obolibrary.org/obo/CHEBI_404903 PHIPO LOOM
http://purl.obolibrary.org/obo/CHEBI_404903 PHIPO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_404903 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_404903 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_404903 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_404903 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_404903 GENEPIO LOOM
http://purl.obolibrary.org/obo/CHEBI_404903 GENEPIO SAME_URI
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C446479 RH-MESH LOOM
http://purl.obolibrary.org/obo/ARO_0000070 ARO LOOM
http://www.co-ode.org/ontologies/galen#Ertapenem GALEN LOOM
http://purl.bioontology.org/ontology/LNC/LP33356-4 LOINC LOOM
http://purl.bioontology.org/ontology/VANDF/4021283 VANDF LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148720 NDFRT LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/396346003 SNOMEDCT LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C1120106 OCHV LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#54784 OCHV LOOM
http://purl.bioontology.org/ontology/MESH/D000077727 MESH LOOM
http://purl.bioontology.org/ontology/LNC/MTHU016193 LOINC LOOM
http://purl.bioontology.org/ontology/RXNORM/325642 RXNORM LOOM