ganirelix   Click here for help

GtoPdb Ligand ID: 3877

Synonyms: D 24598 | D-24598 | Orgalutran® | RS 26306 | RS-26306
Approved drug
ganirelix is an approved drug (FDA (1999), EMA (2000))
Comment: There is some ambiguity surrounding the exact stereochemistry of ganirelix. The structure shown here is the same as that linked to on PubChem above. Other representations are CID 16130957 and CID 25081094.
2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES CCNC(=NCCCCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N)C)CCCCN=C(NCC)NCC)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1)CO)Cc1ccc(cc1)O)NCC
Isomeric SMILES CCNC(=NCCCC[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCCC1C(=O)N[C@@H](C(=O)N)C)CCCCN=C(NCC)NCC)CC(C)C)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1)CO)Cc1ccc(cc1)O)NCC
InChI InChI=1S/C80H113ClN18O13/c1-9-84-79(85-10-2)88-38-17-15-24-60(70(104)94-62(41-49(5)6)71(105)93-61(25-16-18-39-89-80(86-11-3)87-12-4)78(112)99-40-20-26-68(99)77(111)90-50(7)69(82)103)92-73(107)64(44-53-30-35-59(102)36-31-53)97-76(110)67(48-100)98-75(109)66(46-55-21-19-37-83-47-55)96-74(108)65(43-52-28-33-58(81)34-29-52)95-72(106)63(91-51(8)101)45-54-27-32-56-22-13-14-23-57(56)42-54/h13-14,19,21-23,27-37,42,47,49-50,60-68,100,102H,9-12,15-18,20,24-26,38-41,43-46,48H2,1-8H3,(H2,82,103)(H,90,111)(H,91,101)(H,92,107)(H,93,105)(H,94,104)(H,95,106)(H,96,108)(H,97,110)(H,98,109)(H2,84,85,88)(H2,86,87,89)/t50-,60-,61+,62+,63?,64-,65+,66+,67-,68?/m1/s1
InChI Key GJNXBNATEDXMAK-RXXWGPEVSA-N
Classification Click here for help
Compound class Peptide or derivative
Approved drug? Yes (FDA (1999), EMA (2000))
International Nonproprietary Names Click here for help
INN number INN
6830 ganirelix
Synonyms Click here for help
D 24598 | D-24598 | Orgalutran® | RS 26306 | RS-26306
Database Links Click here for help
CAS Registry No. 124904-93-4 (source: Scifinder)
GtoPdb PubChem SID 178100713
PubChem CID 16130966
Search Google for chemical match using the InChIKey GJNXBNATEDXMAK-RXXWGPEVSA-N
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Search PubMed clinical trials ganirelix
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Search UniChem for chemical match using the InChIKey GJNXBNATEDXMAK-RXXWGPEVSA-N
Search UniChem for chemicals with the same backbone GJNXBNATEDXMAK
Wikipedia Ganirelix