leuprolide   

GtoPdb Ligand ID: 1175

Synonyms: ABBOTT-43818 | Fensolvi® (leuprolide acetate injectable suspension) | Lupron® | TAP-144
leuprolide is an approved drug (FDA (1985))
Comment: The marketed formulation contains leuprolide acetate.
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES CCNC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1)CO)CC(C)C)CC(C)C)CCCN=C(N)N
Isomeric SMILES CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)CO)CC(C)C)CC(C)C)CCCN=C(N)N
InChI InChI=1S/C59H84N16O12/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64)/t40-,41-,42-,43+,44-,45-,46-,47-,48-/m0/s1
InChI Key GFIJNRVAKGFPGQ-LIJARHBVSA-N
Classification
Compound class Peptide or derivative
Approved drug? Yes (FDA (1985))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
International Nonproprietary Names
INN number INN
5025 leuprorelin
Synonyms
ABBOTT-43818 | Fensolvi® (leuprolide acetate injectable suspension) | Lupron® | TAP-144
Database Links
CAS Registry No. 53714-56-0
ChEMBL Ligand CHEMBL1201199
DrugBank Ligand DB00007
DrugCentral Ligand 1559
GtoPdb PubChem SID 135652260
PubChem CID 657181
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Wikipedia Leuprorelin