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CHEBI:4534 - difenoxin
| Formula | C28H28N2O2 |
| Net Charge | 0 |
| Average Mass | 424.544 |
| Monoisotopic Mass | 424.21508 |
| SMILES | N#CC(CCN1CCC(C(=O)O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C28H28N2O2/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23/h1-15H,16-21H2,(H,31,32) |
| InChIKey | UFIVBRCCIRTJTN-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Application: | antidiarrhoeal drug Any drug found useful in the symptomatic treatment of diarrhoea. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| difenoxin (CHEBI:4534) has role antidiarrhoeal drug (CHEBI:55323) |
| difenoxin (CHEBI:4534) is a nitrile (CHEBI:18379) |
| difenoxin (CHEBI:4534) is a piperidinemonocarboxylic acid (CHEBI:26148) |
| difenoxin (CHEBI:4534) is a tertiary amine (CHEBI:32876) |
| Incoming Relation(s) |
| diphenoxylate (CHEBI:4639) has functional parent difenoxin (CHEBI:4534) |
| difenoxin hydrochloride (CHEBI:59790) has part difenoxin (CHEBI:4534) |
| IUPAC Name |
|---|
| 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid |
| INNs | Source |
|---|---|
| difenoxinum | ChemIDplus |
| difenoxina | ChemIDplus |
| difenoxin | ChemIDplus |
| Synonyms | Source |
|---|---|
| Difenoxin | KEGG COMPOUND |
| diphenoxylic acid | ChemIDplus |
| 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid | ChemIDplus |
| diphenoxilic acid | NIST Chemistry WebBook |
| Registry Numbers | Sources |
|---|---|
| Beilstein:6827931 | Beilstein |
| CAS:28782-42-5 | KEGG COMPOUND |
| CAS:28782-42-5 | NIST Chemistry WebBook |
| CAS:28782-42-5 | ChemIDplus |