Drugs Information: Histrelin
Basic Information
|
||
| ID | DDInter864 | |
| Drug Type | small molecule | |
| Molecular Formula | C70H94N18O16 | |
| Molecular Weight | - | |
| Description | Histrelin is a GnRH agonist found in subcutaneous implants used for the treatment of pediatric patients with central precocious puberty and the palliative treatment of advanced prostate cancer. | |
| ATC Classification | L02AE05 | |
| IUPAC Name | (2S)-1-[(2S)-2-[(2S)-2-[(2R)-3-(1-Benzyl-1H-Imidazol-4-Yl)-2-[(2S)-2-[(2S)-3-Hydroxy-2-[(2S)-2-[(2S)-3-(1H-Imidazol-4-Yl)-2-{[(2 | |
| InChI | Inchi=1S/C66H86N18O12.2C2H4O2/C1-4-70-64(95)55-17-11-25-84(55)65(96)48(16-10-24-71-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-34-83(37-74-43)33-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-72-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-73-42)80-57(88)47-22-23-56(87)75-47;2*1-2(3)4/H5-9,12-15,18-21,31-32,34,36-38,47-55,72,85-86H,4,10-11,16-17,22-30,33,35H2,1-3H3,(H,69,73)(H,70,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)(H4,67,68,71);2*1H3,(H,3,4)/T47-,48-,49-,50-,51-,52-,53+,54-,55-;;/M0../S1 | |
| InChI Key | BKEMVGVBBDMHKL-VYFXDUNUSA-N | |
| Canonical SMILES | CC(O)=O.CC(O)=O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1=CN(CC2=CC=CC=C2)C=N1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1 | |
| Useful Links | DrugBank PubChem | |
Interactions with Histrelin
| Severity level | ID | Name | Mechanism | Detail |
|---|