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CHEBI:756389 - tacrolimus
| Formula | H2O.C44H69NO12 |
| Net Charge | 0 |
| Average Mass | 822.046 |
| Monoisotopic Mass | 821.49254 |
| SMILES | O.[H][C@@]1(/C=C(\C)[C@H]2OC(=O)[C@]3([H])CCCCN3C(=O)C(=O)[C@]3(O)O[C@]([H])([C@@H](OC)C[C@@H](C)C/C(C)=C/[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)[C@@H](OC)C[C@H]3C)CC[C@@H](O)[C@H](OC)C1 |
| InChI | InChI=1S/C44H69NO12.H2O/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7;/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3;1H2/b25-19+,27-21+;/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+;/m0./s1 |
| InChIKey | NWJQLQGQZSIBAF-MLAUYUEBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| tacrolimus (CHEBI:756389) has role anti-anaemic agent (CHEBI:75835) |
| tacrolimus (CHEBI:756389) has role antineoplastic agent (CHEBI:35610) |
| tacrolimus (CHEBI:756389) has role dermatologic drug (CHEBI:50177) |
| tacrolimus (CHEBI:756389) has role ophthalmology drug (CHEBI:66981) |
| tacrolimus (CHEBI:756389) is a organic molecular entity (CHEBI:50860) |
| tacrolimus (CHEBI:756389) is a peptide (CHEBI:16670) |
| Synonyms | Source |
|---|---|
| FR-900506 | ChEMBL |
| NSC-758659 | ChEMBL |
| Brand Names | Source |
|---|---|
| Adoport | ChEMBL |
| Advagraf | ChEMBL |
| Astagraf xl | ChEMBL |
| Capexion | ChEMBL |
| Envarsus | ChEMBL |
| Envarsus xr | ChEMBL |
| Citations |
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