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CHEBI:234399 - clonazepam 3-hemisuccinate
| Formula | C19H14ClN3O7 |
| Net Charge | 0 |
| Average Mass | 431.788 |
| Monoisotopic Mass | 431.05203 |
| SMILES | O=C(O)CCC(=O)OC1N=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2NC1=O |
| InChI | InChI=1S/C19H14ClN3O7/c20-13-4-2-1-3-11(13)17-12-9-10(23(28)29)5-6-14(12)21-18(27)19(22-17)30-16(26)8-7-15(24)25/h1-6,9,19H,7-8H2,(H,21,27)(H,24,25) |
| InChIKey | QALQAIWAHFERNQ-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | GABA modulator A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act. |
| Application: | GABA modulator A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| clonazepam 3-hemisuccinate (CHEBI:234399) has functional parent clonazepam (CHEBI:3756) |
| clonazepam 3-hemisuccinate (CHEBI:234399) is a C-nitro compound (CHEBI:35716) |
| clonazepam 3-hemisuccinate (CHEBI:234399) is a 1,4-benzodiazepinone (CHEBI:35500) |
| clonazepam 3-hemisuccinate (CHEBI:234399) is a hemisuccinate (CHEBI:138979) |
| clonazepam 3-hemisuccinate (CHEBI:234399) is a monochlorobenzenes (CHEBI:83403) |
| IUPAC Name |
|---|
| 4-{[5-(2-chlorophenyl)-7-nitro-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]oxy}-4-oxobutanoic acid |
| Synonyms | Source |
|---|---|
| 3-hemisuccinyloxyclonazepam | ChEBI |
| clonazepam hemisuccinate | ChEBI |
| Citations |
|---|