EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C35H34ClN7O4S2 |
| Net Charge | 0 |
| Average Mass | 716.289 |
| Monoisotopic Mass | 715.18022 |
| SMILES | C[C@H](N)C(=O)N[C@@H](C)C(=O)OCCOc1ccc(-c2c(C#N)c(SCc3csc(-c4ccc(Cl)cc4)n3)nc(N3CCCC3)c2C#N)cc1 |
| InChI | InChI=1S/C35H34ClN7O4S2/c1-21(39)32(44)40-22(2)35(45)47-16-15-46-27-11-7-23(8-12-27)30-28(17-37)31(43-13-3-4-14-43)42-34(29(30)18-38)49-20-26-19-48-33(41-26)24-5-9-25(36)10-6-24/h5-12,19,21-22H,3-4,13-16,20,39H2,1-2H3,(H,40,44)/t21-,22-/m0/s1 |
| InChIKey | WESNEIGKOAXSGX-VXKWHMMOSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Application: | cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bay1067197 (CHEBI:759106) has role cardiovascular drug (CHEBI:35554) |
| bay1067197 (CHEBI:759106) is a peptide (CHEBI:16670) |
| INNs | Source |
|---|---|
| bialanate de neladenoson | WHO MedNet |
| bialanato de neladenoson | WHO MedNet |
| neladenoson bialanate | WHO MedNet |
| Synonyms | Source |
|---|---|
| BAY-10-67197 | ChEMBL |
| BAY-1067197 | ChEMBL |
| BAY10-67197 | ChEMBL |
| BAY1067197 | ChEMBL |
| Neladenoson dalanate | ChEMBL |