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CHEBI:7575 - nimodipine

Default Structure
ChEBI IDCHEBI:7575
ChEBI Namenimodipine
Stars
DefinitionA dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a (2-methoxyethoxy)carbonyl group at position 3, a m-nitrophenyl group at position 4, and an isopropoxycarbonyl group at position 5. An L-type calcium channel blocker, it acts particularly on cerebral circulation, and is used both orally and intravenously for the prevention and treatment of subarachnoid hemorrhage from ruptured intracranial aneurysm.
Last Modified9 March 2018
DownloadsMolfile
FormulaC21H26N2O7
Net Charge0
Average Mass418.446
Monoisotopic Mass418.17400
SMILESCOCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3
InChIKeyUIAGMCDKSXEBJQ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
calcium channel blocker  One of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
vasodilator agent  A drug used to cause dilation of the blood vessels.
antipsychotic agent  Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect.
antidote  Any protective agent counteracting or neutralizing the action of poisons.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
ChEBI Ontology
Outgoing Relation(s)
nimodipine (CHEBI:7575) has role antidote (CHEBI:50247)
nimodipine (CHEBI:7575) has role antihypertensive agent (CHEBI:35674)
nimodipine (CHEBI:7575) has role antineoplastic agent (CHEBI:35610)
nimodipine (CHEBI:7575) has role antipsychotic agent (CHEBI:35476)
nimodipine (CHEBI:7575) has role calcium channel blocker (CHEBI:38215)
nimodipine (CHEBI:7575) has role cardiovascular drug (CHEBI:35554)
nimodipine (CHEBI:7575) has role vasodilator agent (CHEBI:35620)
nimodipine (CHEBI:7575) is a C-nitro compound (CHEBI:35716)
nimodipine (CHEBI:7575) is a 2-methoxyethyl ester (CHEBI:136838)
nimodipine (CHEBI:7575) is a dicarboxylic acids and O-substituted derivatives (CHEBI:131927)
nimodipine (CHEBI:7575) is a diester (CHEBI:51307)
nimodipine (CHEBI:7575) is a dihydropyridine (CHEBI:50075)
nimodipine (CHEBI:7575) is a isopropyl ester (CHEBI:35725)
IUPAC Name 
2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
INNs  Source
nimodipineChemIDplus
nimodipinoChemIDplus
nimodipinumChemIDplus
Synonyms  Source
2,6-dimethyl-4-(3'-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-β-methoxyethyl ester 5-isopropyl esterChEBI
AdmonChEMBL
BAY e 9736ChemIDplus
BAY-E-9736ChEMBL
isopropyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylateChEBI
isopropyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylateChemIDplus
Brand Names  Source
NimotopChemIDplus
PeriplumChemIDplus
Manual XrefsDatabases
1937DrugCentral
C07267KEGG COMPOUND
D00438KEGG DRUG
DB00393DrugBank
DE2117571Patent
LSM-1659LINCS
NimodipineWikipedia
US3799934Patent
Registry NumbersSources
Reaxys:459792Reaxys
CAS:66085-59-4ChemIDplus
CAS:66085-59-4NIST Chemistry WebBook
CAS:66085-59-4KEGG COMPOUND
Citations