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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | dexmedetomidine hydrochloride | |
| Synonyms |
Precedex 4-((S)-alpha,2,3-trimethylbenzyl)imidazole monohydrochloride 4-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_31472 |
|
| charge |
0
|
|
| database_cross_reference |
CAS:145108-58-3 Beilstein:8937629 KEGG:D01205
|
|
| formula |
C13H17ClN2 C13H16N2.HCl
|
|
| has part | ||
| has role | ||
| has_exact_synonym |
4-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Precedex 4-((S)-alpha,2,3-trimethylbenzyl)imidazole monohydrochloride
|
|
| id |
CHEBI:31472
|
|
| in_subset | ||
| inchi |
InChI=1S/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H/t11-;/m0./s1
|
|
| inchikey |
VPNGEIHDPSLNMU-MERQFXBCSA-N
|
|
| is enantiomer of | ||
| label |
dexmedetomidine hydrochloride
|
|
| mass |
236.74026
|
|
| monoisotopicmass |
236.10803
|
|
| notation |
CHEBI:31472
|
|
| prefLabel |
dexmedetomidine hydrochloride
|
|
| smiles |
Cl.C[C@H](c1c[nH]cn1)c1cccc(C)c1C
|
|
| treeView | ||
| subClassOf |
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