EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | HCl.C27H41ClN4O5.HCl |
| Net Charge | 0 |
| Average Mass | 610.023 |
| Monoisotopic Mass | 608.22990 |
| SMILES | COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(CCCCCC(=O)O[C@H]2CN3CCC2CC3)C[C@@H]1OC.Cl.Cl |
| InChI | InChI=1S/C27H41ClN4O5.2ClH/c1-35-23-15-21(29)20(28)14-19(23)27(34)30-22-9-13-31(17-25(22)36-2)10-5-3-4-6-26(33)37-24-16-32-11-7-18(24)8-12-32;;/h14-15,18,22,24-25H,3-13,16-17,29H2,1-2H3,(H,30,34);2*1H/t22-,24+,25+;;/m1../s1 |
| InChIKey | ZKVOMYDQQYOJKE-HTKGJVFSSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| naronapride dihydrochloride (CHEBI:751586) is a carbonyl compound (CHEBI:36586) |
| naronapride dihydrochloride (CHEBI:751586) is a organohalogen compound (CHEBI:17792) |
| Synonyms | Source |
|---|---|
| ATI-7505 2HCL | ChEMBL |
| ATI-7505 BIS HCL | ChEMBL |
| ATI-7505 DIHYDROCHLORIDE | ChEMBL |
| Naronapride dihydrochloride | ChEMBL |