triptorelin   Click here for help

GtoPdb Ligand ID: 1177

Synonyms: CL 118532 | CL-118532 | Decapeptyl® | Pamorelin® | Trelstar® | Triptodur®
Approved drug
triptorelin is an approved drug (FDA (2001))
Comment: As is the case with many peptide molecules, there is some ambiguity as to the stereochemistry of triptorelin, therefore the chemical structure shown here may vary slightly from that displayed on the resources linked to from the table above. The marketed formulations contain triptorelin pamoate (PubChem CID 25074469) or triptorelin acetate (PubChem CID 25080282).
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2D Structure
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Canonical SMILES OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)N)CCCNC(=N)N)CC(C)C)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1nc[nH]c1
Isomeric SMILES OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)CCCNC(=N)N)CC(C)C)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)Cc1nc[nH]c1
InChI InChI=1S/C64H82N18O13/c1-34(2)23-46(56(88)75-45(13-7-21-69-64(66)67)63(95)82-22-8-14-52(82)62(94)72-31-53(65)85)76-58(90)48(25-36-28-70-42-11-5-3-9-40(36)42)78-57(89)47(24-35-15-17-39(84)18-16-35)77-61(93)51(32-83)81-59(91)49(26-37-29-71-43-12-6-4-10-41(37)43)79-60(92)50(27-38-30-68-33-73-38)80-55(87)44-19-20-54(86)74-44/h3-6,9-12,15-18,28-30,33-34,44-52,70-71,83-84H,7-8,13-14,19-27,31-32H2,1-2H3,(H2,65,85)(H,68,73)(H,72,94)(H,74,86)(H,75,88)(H,76,90)(H,77,93)(H,78,89)(H,79,92)(H,80,87)(H,81,91)(H4,66,67,69)/t44-,45-,46-,47-,48+,49-,50-,51-,52-/m0/s1
Classification Click here for help
Compound class Peptide or derivative
Approved drug? Yes (FDA (2001))
International Nonproprietary Names Click here for help
INN number INN
5711 triptorelin
Synonyms Click here for help
CL 118532 | CL-118532 | Decapeptyl® | Pamorelin® | Trelstar® | Triptodur®
Database Links Click here for help
CAS Registry No. 57773-63-4 (source: Scifinder)
ChEMBL Ligand CHEMBL1201334
DrugCentral Ligand 2968
GtoPdb PubChem SID 135652611
PubChem CID 25074470
Search Google for chemical match using the InChIKey VXKHXGOKWPXYNA-PGBVPBMZSA-N
Search Google for chemicals with the same backbone VXKHXGOKWPXYNA
Search PubMed clinical trials triptorelin
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Search UniChem for chemical match using the InChIKey VXKHXGOKWPXYNA-PGBVPBMZSA-N
Search UniChem for chemicals with the same backbone VXKHXGOKWPXYNA
Wikipedia Triptorelin