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CHEBI:757761 - simpinicline
| Formula | C10H13N3 |
| Net Charge | 0 |
| Average Mass | 175.235 |
| Monoisotopic Mass | 175.11095 |
| SMILES | C(=C/[C@H]1CCNC1)\c1cncnc1 |
| InChI | InChI=1S/C10H13N3/c1(9-3-4-11-5-9)2-10-6-12-8-13-7-10/h1-2,6-9,11H,3-5H2/b2-1+/t9-/m0/s1 |
| InChIKey | FNEHSHNEXMPCLJ-VWCDRPFISA-N |
| Roles Classification |
|---|
| Applications: | antispasmodic drug A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder. gastrointestinal drug A drug used for its effects on the gastrointestinal system, e.g. controlling gastric acidity, regulating gastrointestinal motility and water flow, and improving digestion. ophthalmology drug Any compound used for the treatment of eye conditions or eye diseases. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| simpinicline (CHEBI:757761) has role antispasmodic drug (CHEBI:53784) |
| simpinicline (CHEBI:757761) has role gastrointestinal drug (CHEBI:55324) |
| simpinicline (CHEBI:757761) has role ophthalmology drug (CHEBI:66981) |
| simpinicline (CHEBI:757761) is a pyrimidines (CHEBI:39447) |
| INN | Source |
|---|---|
| simpinicline | WHO MedNet |
| Synonyms | Source |
|---|---|
| OC-02 | ChEMBL |
| TC-6499 | ChEMBL |
| TC6499 | ChEMBL |
| TC-6499-12 | ChEMBL |