Drugs Information: Caspofungin
Basic Information
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| ID | DDInter306 | |
| Drug Type | small molecule | |
| Molecular Formula | C52H88N10O15 | |
| Molecular Weight | - | |
| Description | Caspofungin is an echinocandin used to treat a variety of fungal infections. | |
| ATC Classification | J02AX04 | |
| IUPAC Name | (10R,12S)-N-[(3S,6S,9S,11R,15S,18S,20R,21S,24S,25S)-3-[(1R)-3-Amino-1-Hydroxypropyl]-21-[(2-Aminoethyl)Amino]-6-[(1S,2S)-1,2-Dih | |
| InChI | Inchi=1S/C52H88N10O15/C1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/H14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/T28-,29+,30+,33+,34-,35-,36+,37-,38+,40-,41-,42-,43-,44-,45-,46-/M0/S1 | |
| InChI Key | JYIKNQVWKBUSNH-WVDDFWQHSA-N | |
| Canonical SMILES | [H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@]([H])(C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]1[C@@H](O)CCN1C(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@H](O)[C@@H](O)C1=CC=C(O)C=C1)[C@H](O)CCN)NC(=O)CCCCCCCC[C@@H](C)C[C@@H](C)CC)[C@@H](C)O | |
| Useful Links | DrugBank PubChem | |
Interactions with Caspofungin
| Severity level | ID | Name | Mechanism | Detail |
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