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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 |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Applications: | dermatologic drug A drug used to treat or prevent skin disorders or for the routine care of skin. anti-anaemic agent A compound which increases either the number of red cells or the amount of haemoglobin in the blood. ophthalmology drug Any compound used for the treatment of eye conditions or eye diseases. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| 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 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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