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The Drug Ontology
Last uploaded:
December 20, 2024
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| Preferred Name | methyl 2-methylpropyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | |
| Synonyms |
methyl 2-methylpropyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
|
| Definitions |
A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a methoxycarbonyl group at position 3, an o-nitrophenyl group at position 4, and an isobutoxycarbonyl group at position 5. The racemate, a calcium channel blocker, is used in the treatment of hypertension and angina pectoris. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_76917 |
|
| alternative label |
methyl 2-methylpropyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
|
|
| charge |
0
|
|
| database_cross_reference |
LINCS:LSM-5172 KEGG:D00618 CAS:63675-72-9 KEGG:C07699
|
|
| definition |
A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a methoxycarbonyl group at position 3, an o-nitrophenyl group at position 4, and an isobutoxycarbonyl group at position 5. The racemate, a calcium channel blocker, is used in the treatment of hypertension and angina pectoris.
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|
| formula |
C20H24N2O6
|
|
| has_exact_synonym |
methyl 2-methylpropyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
|
|
| has_obo_namespace |
chebi_ontology
|
|
| id |
CHEBI:76917
|
|
| in_subset | ||
| inchi |
InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3
|
|
| inchikey |
VKQFCGNPDRICFG-UHFFFAOYSA-N
|
|
| label |
methyl 2-methylpropyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
|
|
| mass |
388.41440
|
|
| monoisotopicmass |
388.16344
|
|
| notation |
CHEBI:76917
|
|
| prefLabel |
methyl 2-methylpropyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
|
|
| smiles |
COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OCC(C)C
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|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_50075 http://purl.obolibrary.org/obo/CHEBI_51307 http://purl.obolibrary.org/obo/CHEBI_25248 |
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Create mapping
| Mapping To | Ontology | Source |
|---|---|---|
| http://purl.obolibrary.org/obo/CHEBI_76917 | CHEBI | SAME_URI |
| http://purl.obolibrary.org/obo/CHEBI_76917 | PDRO | SAME_URI |
| http://purl.obolibrary.org/obo/CHEBI_76917 | FIDEO | SAME_URI |
| http://purl.obolibrary.org/obo/CHEBI_76917 | BERO | SAME_URI |
| http://purl.obolibrary.org/obo/CHEBI_76917 | DDSS | SAME_URI |
| http://purl.obolibrary.org/obo/CHEBI_76917 | CHEBI | LOOM |
| http://purl.obolibrary.org/obo/CHEBI_76917 | PDRO | LOOM |
| http://purl.obolibrary.org/obo/CHEBI_76917 | BERO | LOOM |
| http://purl.obolibrary.org/obo/CHEBI_76917 | DDSS | LOOM |