EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C4H4O4.C16H20N6 |
| Net Charge | 0 |
| Average Mass | 412.450 |
| Monoisotopic Mass | 412.18590 |
| SMILES | Cc1nc2n(n1)C(N1CCN(C)CC1)=Nc1ccccc1C2.O=C(O)/C=C\C(=O)O |
| InChI | InChI=1S/C16H20N6.C4H4O4/c1-12-17-15-11-13-5-3-4-6-14(13)18-16(22(15)19-12)21-9-7-20(2)8-10-21;5-3(6)1-2-4(7)8/h3-6H,7-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1- |
| InChIKey | UNBBRTKPRZDYLP-BTJKTKAUSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| batelapine maleate (CHEBI:751692) is a N-methylpiperazine (CHEBI:46920) |
| Synonyms | Source |
|---|---|
| Batelapine maleate | ChEMBL |
| CGS 13429A | ChEMBL |
| CGS-13429A | ChEMBL |