Bioactive Compound Details
| BioID | bio181601 |
|---|---|
| Name | DILTIAZEM MALATE |
| ChEMBL ID | CHEMBL1200805 |
| Molecular Formula | C26H32N2O9S |
| Molecular Weight | 548.61 |
| Molecular Weight (Monoisotopic) | 414.1613 |
| Type | Small molecule |
| Max Phase | Phase 4 |
| Target ID | Tar63 |
| Target Name | None |
| Synonyms | DILTIAZEM MALATE|MK-793|TIAMATE |
| Smiles | COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1.O=C(O)CC(O)C(=O)O |
| Inchi | InChI=1S/C22H26N2O4S.C4H6O5/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;5-2(4(8)9)1-3(6)7/h5-12,20-21H,13-14H2,1-4H3;2,5H,1H2,(H,6,7)(H,8,9)/t20-,21+;/m1./s1 |
| Inchi Key | IUSFTUWHKCSCDY-BHDTVMLSSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.13 |
| Records Key | ['DILTIAZEM MALATE', 'DILTIAZEM MALATE'] |
| Records Name | ['DILTIAZEM MALATE', 'DILTIAZEM MALATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
