loading...| Preferred Name | atropine | |
| Synonyms |
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 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 |
|
| 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 |
|
| alternative term |
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 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 |
|
| bearer_of |
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 |
|
| 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 |
|
| formula |
C17H23NO3 |
|
| has part | ||
| 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 |
|
| 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 | ||
| 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 |
|
| overlaps | ||
| prefixIRI |
CHEBI:16684 |
|
| prefLabel |
atropine |
|
| smiles |
CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |
|
| textual 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. |
|
| subClassOf |