The Drug Ontology

Last uploaded: March 3, 2024
Preferred Name

atropine

Synonyms

rac-tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate

rac-(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate

Atropine

8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate

(+-)-atropine

(+-)-hyoscyamine

8-methyl-8-azabicyclo[3.2.1]oct-3-yl tropate

dl-Hyoscyamine

tropine tropate

(+,-)-tropyl tropate

(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl tropate

[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] 3-hydroxy-2-phenyl-propanoate

dl-tropyltropate

Atropin

atropina

Definitions

A racemate composed of equimolar concentrations of (S)- and (R)-atropine . It is obtained from deadly nightshade (Atropa belladonna) and other plants of the family Solanaceae.

ID

http://purl.obolibrary.org/obo/CHEBI_16684

charge

0

database_cross_reference

DrugBank:DB00572

KEGG:D00113

KEGG:C01479

HMDB:HMDB0014712

PMID:15374592

PMID:18369575

Beilstein:1545928

Reaxys:1545928

CAS:51-55-8

Beilstein:4236545

definition

A racemate composed of equimolar concentrations of (S)- and (R)-atropine . It is obtained from deadly nightshade (Atropa belladonna) and other plants of the family Solanaceae.

formula

C17H23NO3

has part

http://purl.obolibrary.org/obo/CHEBI_48882

http://purl.obolibrary.org/obo/CHEBI_17486

has role

http://purl.obolibrary.org/obo/CHEBI_38070

http://purl.obolibrary.org/obo/CHEBI_76924

http://purl.obolibrary.org/obo/CHEBI_136860

http://purl.obolibrary.org/obo/CHEBI_50513

http://purl.obolibrary.org/obo/CHEBI_48876

http://purl.obolibrary.org/obo/CHEBI_60807

http://purl.obolibrary.org/obo/CHEBI_50370

http://purl.obolibrary.org/obo/CHEBI_146270

http://purl.obolibrary.org/obo/CHEBI_35523

has_alternative_id

CHEBI:24754

CHEBI:22674

CHEBI:13866

CHEBI:2917

has_exact_synonym

rac-tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate

rac-(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate

Atropine

has_obo_namespace

chebi_ontology

has_related_synonym

8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate

(+-)-atropine

(+-)-hyoscyamine

8-methyl-8-azabicyclo[3.2.1]oct-3-yl tropate

dl-Hyoscyamine

tropine tropate

(+,-)-tropyl tropate

(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl tropate

[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] 3-hydroxy-2-phenyl-propanoate

dl-tropyltropate

Atropin

atropina

has_RxCUI

1223

id

CHEBI:16684

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

inchi

InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?

inchikey

RKUNBYITZUJHSG-SPUOUPEWSA-N

label

Atropine

atropine

mass

289.36946

monoisotopicmass

289.16779

notation

CHEBI:16684

prefLabel

atropine

smiles

CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1

subClassOf

http://purl.obolibrary.org/obo/CHEBI_60911

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http://purl.obolibrary.org/obo/CHEBI_16684 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_16684 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_16684 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_16684 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_16684 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_16684 NIFSTD SAME_URI
http://purl.obolibrary.org/obo/CHEBI_16684 GO-PLUS SAME_URI
http://purl.obolibrary.org/obo/XCO_0000631 XCO LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.132.889.180.648.199 RH-MESH LOOM
http://purl.bioontology.org/ontology/RCD/x01DO RCD LOOM
http://purl.jp/bio/4/id/200906045873278650 IOBC LOOM
http://purl.bioontology.org/ontology/ATC/A03BA01 ATC LOOM
http://purl.bioontology.org/ontology/CSP/3002-2629 CRISP LOOM
http://purl.bioontology.org/ontology/LNC/MTHU002117 LOINC LOOM
http://purl.obolibrary.org/obo/NCIT_C28840 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_78734 FIDEO LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C28840 NCIT LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D001285 RH-MESH LOOM
http://purl.bioontology.org/ontology/NDDF/001715 NDDF LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D04.075.080.875.099.722.229.199 RH-MESH LOOM
http://purl.bioontology.org/ontology/MESH/D001285 MESH LOOM
http://purl.bioontology.org/ontology/ATC/S01FA01 ATC LOOM
http://purl.bioontology.org/ontology/SNMI/C-67770 SNMI LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0004259 OCHV LOOM
http://www.semanticweb.org/ontologies/2011/1/Ontology1296772722296.owl#EPO_00000063 PDON LOOM
https://go.drugbank.com/drugs/DB00572 MDM LOOM
http://www.co-ode.org/ontologies/galen#Atropine GALEN LOOM
http://www.limics.fr/ontologies/ontoparonmed#Atropine ONTOPARON LOOM
http://purl.obolibrary.org/obo/OMIT_0002668 OMIT LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#1575 OCHV LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.605.869.229.199 RH-MESH LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D02.145.074.722.229.199 RH-MESH LOOM
http://purl.bioontology.org/ontology/RXNORM/1223 RXNORM LOOM
http://www.phoc.org.cn/pmo/class/PMO_00016240 PMAPP-PMO LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/372832002 SNOMEDCT LOOM
http://localhost/plosthes.2017-1#3556 PLOSTHES LOOM
http://ontology.apa.org/apaonto/termsonlyOUT%20(5).owl#Atropine APAONTO LOOM
http://www.drugbank.ca/drugs/DB00572 FTC LOOM
http://purl.obolibrary.org/obo/CHEBI_16684 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_16684 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_16684 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_16684 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_16684 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_16684 NIFSTD LOOM
http://purl.obolibrary.org/obo/CHEBI_16684 GO-PLUS LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C1161352 OCHV LOOM
http://stirdf.jst.go.jp/id/200907010098080614 IOBC LOOM
http://purl.obolibrary.org/obo/MESH_D001285 BERO LOOM
http://purl.bioontology.org/ontology/LNC/LP14891-3 LOINC LOOM
http://www.gamuts.net/entity#atropine GAMUTS LOOM
http://purl.bioontology.org/ontology/VANDF/4019591 VANDF LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.132.760.180.572.199 RH-MESH LOOM
http://doe-generated-ontology.com/OntoAD#C0004259 ONTOAD LOOM
https://github.com/sap218/ocimido/blob/master/ontology/ocimido.owl#OCIMIDO_00413 OCIMIDO LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000147687 NDFRT LOOM