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CHEBI:233566 - NCX-4040
| Formula | C16H13NO7 |
| Net Charge | 0 |
| Average Mass | 331.280 |
| Monoisotopic Mass | 331.06920 |
| SMILES | CC(=O)Oc1ccccc1C(=O)Oc1ccc(CO[N+](=O)[O-])cc1 |
| InChI | InChI=1S/C16H13NO7/c1-11(18)23-15-5-3-2-4-14(15)16(19)24-13-8-6-12(7-9-13)10-22-17(20)21/h2-9H,10H2,1H3 |
| InChIKey | CTHNKWFUDCMLIQ-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | nitric oxide donor An agent, with unique chemical structure and biochemical requirements, which generates nitric oxide. |
| Biological Roles: | apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. chemosensitiser Any compound that can sensitise tumour cells to chemotherapy. |
| Applications: | anti-inflammatory agent Any compound that has anti-inflammatory effects. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| NCX-4040 (CHEBI:233566) has functional parent acetylsalicylic acid (CHEBI:15365) |
| NCX-4040 (CHEBI:233566) has role analgesic (CHEBI:35480) |
| NCX-4040 (CHEBI:233566) has role anti-inflammatory agent (CHEBI:67079) |
| NCX-4040 (CHEBI:233566) has role antifungal agent (CHEBI:35718) |
| NCX-4040 (CHEBI:233566) has role antineoplastic agent (CHEBI:35610) |
| NCX-4040 (CHEBI:233566) has role apoptosis inducer (CHEBI:68495) |
| NCX-4040 (CHEBI:233566) has role chemosensitiser (CHEBI:233442) |
| NCX-4040 (CHEBI:233566) has role nitric oxide donor (CHEBI:50566) |
| NCX-4040 (CHEBI:233566) is a benzoate ester (CHEBI:36054) |
| NCX-4040 (CHEBI:233566) is a nitro compound (CHEBI:35715) |
| NCX-4040 (CHEBI:233566) is a phenyl acetates (CHEBI:140310) |
| IUPAC Name |
|---|
| 4-[(nitrooxy)methyl]phenyl 2-(acetyloxy)benzoate |
| Synonyms | Source |
|---|---|
| [4-(nitrooxymethyl)phenyl] 2-acetyloxybenzoate | ChEBI |
| NCX 4040 | SUBMITTER |
| NO-aspirin | SUBMITTER |
| NCX4040 | ChEBI |
| 2-(acetyloxy)benzoic acid 4-(nitroxymethyl)phenyl ester | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| HMDB0255675 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:287118-97-2 | SUBMITTER |
| Citations |
|---|