EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C4H4O4.C22H25ClN2O4S |
| Net Charge | 0 |
| Average Mass | 565.044 |
| Monoisotopic Mass | 564.13331 |
| SMILES | COc1ccc([C@@H]2Sc3cc(Cl)ccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1.O=C(O)/C=C\C(=O)O |
| InChI | InChI=1S/C22H25ClN2O4S.C4H4O4/c1-14(26)29-20-21(15-5-8-17(28-4)9-6-15)30-19-13-16(23)7-10-18(19)25(22(20)27)12-11-24(2)3;5-3(6)1-2-4(7)8/h5-10,13,20-21H,11-12H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t20-,21+;/m1./s1 |
| InChIKey | FTUXVMVEKYLKGE-WECFPGDBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| clentiazem maleate (CHEBI:756190) is a benzothiazepine (CHEBI:48684) |
| Synonyms | Source |
|---|---|
| Clentiazem maleate | ChEMBL |
| TA-3090 | ChEMBL |