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The Prescription of Drugs Ontology
Last uploaded:
September 4, 2020
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| Preferred Name | metoprolol | |
| Synonyms |
(RS)-Metoprolol 1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol Metoprolol |
|
| Definitions |
A propanolamine that is 1-(propan-2-ylamino)propan-2-ol substituted by a 4-(2-methoxyethyl)phenoxy group at position 1. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_6904 |
|
| alternative term |
(RS)-Metoprolol 1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol Metoprolol
|
|
| bearer_of |
http://purl.obolibrary.org/obo/CHEBI_176497 http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_35674 |
|
| charge |
0
|
|
| database_cross_reference |
PMID:15140634 KEGG:C07202 HMDB:HMDB0001932 PMID:15797646 PMID:23314750 CAS:51384-51-1 PMID:24025984 LINCS:LSM-1259 Drug_Central:1786 KEGG:D02358 CAS:37350-58-6 Reaxys:1117585 DrugBank:DB00264 Wikipedia:Metoprolol
|
|
| formula |
C15H25NO3
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_176497 http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_35674 |
|
| has_exact_synonym |
1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol Metoprolol
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
(RS)-Metoprolol 1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
|
|
| has_RxCUI |
6918
|
|
| id |
CHEBI:6904
|
|
| in_subset | ||
| inchi |
InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
|
|
| inchikey |
IUBSYMUCCVWXPE-UHFFFAOYSA-N
|
|
| is bearer of | ||
| label |
Metoprolol metoprolol
|
|
| mass |
267.36394
|
|
| monoisotopicmass |
267.18344
|
|
| notation |
CHEBI:6904
|
|
| prefixIRI |
CHEBI:6904
|
|
| prefLabel |
metoprolol
|
|
| smiles |
COCCc1ccc(OCC(O)CNC(C)C)cc1
|
|
| textual definition |
A propanolamine that is 1-(propan-2-ylamino)propan-2-ol substituted by a 4-(2-methoxyethyl)phenoxy group at position 1.
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35533 http://purl.obolibrary.org/obo/CHEBI_35618 |
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