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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | doxazosin mesylate | |
| Synonyms |
1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(1,4-benzodioxan-2-ylcarbonyl)piperazine monomethanesulfonate 2-[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine methanesulfonate |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_4709 |
|
| alternative term |
1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(1,4-benzodioxan-2-ylcarbonyl)piperazine monomethanesulfonate 2-[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine methanesulfonate
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|
| bearer of | ||
| charge |
0
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|
| database_cross_reference |
DrugBank:DBSALT001948 CAS:77883-43-3 KEGG:D00608 PMID:24134630 Chemspider:56686
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|
| formula |
C23H25N5O5.CH4SO3
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|
| has part | ||
| has_exact_synonym |
2-[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine methanesulfonate
|
|
| has_obo_namespace |
chebi_ontology
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|
| has_related_synonym |
1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(1,4-benzodioxan-2-ylcarbonyl)piperazine monomethanesulfonate
|
|
| id |
CHEBI:4709
|
|
| in_subset | ||
| inchi |
InChI=1S/C23H25N5O5.CH4O3S/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20;1-5(2,3)4/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26);1H3,(H,2,3,4)
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|
| inchikey |
VJECBOKJABCYMF-UHFFFAOYSA-N
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|
| label |
doxazosin mesylate
|
|
| mass |
547.58196
|
|
| monoisotopicmass |
547.17368
|
|
| notation |
CHEBI:4709
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|
| overlaps | ||
| prefLabel |
doxazosin mesylate
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|
| RO_0000087 | ||
| smiles |
[H+].CS([O-])(=O)=O.COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
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| subClassOf |
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