Ganirelix

Base Information

• Chemical Name: Ganirelix
• CAS No.: 124904-93-4
• Deprecated CAS: 123246-29-7
• Molecular Formula: C80H113ClN18O13
• Molecular Weight: 1570.319
• European Community (EC) Number: 689-234-8
• UNII: IX503L9WN0
• ChEMBL ID: CHEMBL1251
• DSSTox Substance ID: DTXSID401027283
• Metabolomics Workbench ID: 149982
• NCI Thesaurus Code: C77423
• Nikkaji Number: J419.572H
• Pharos Ligand ID: CAU3F3DY9BX5
• RXCUI: 35825
• Wikidata: Q5521314
• Wikipedia: Ganirelix
• Mol file: 124904-93-4.mol

Synonyms:Antagon;ganirelix;ganirelix acetate;ganirelix diacetate;GnRH, N-Ac-2-Nal(1)-4-Cl-Phe(2)-3-Pal(3)-Et2-hArg(6,8)-AlaNH2(10)-;LHRH, N-acetyl-2-naphthylalanyl(1)-(4-chlorophenylalanyl)(2)-3-pyrdinylalanyl(3)-diethylhomoarginyl(6,8)-alaninamide(10)-;LHRH,N-Ac-2-Nal(1)-4-Cl-Phe(2)-3-Pal(3)-Et2-hArg(6,8)-AlaNH2(10)-;N-Ac-(2-naphthyl)Ala-2-(4-Cl-Phe)-3-(3-pyridinyl-Ala)-6,8-Et2-hArg-10-AlaNH2-LHRH;N-acetyl-3-(2-naphthyl)-D-alanyl-p-chloro-D-phenylalanyl-3-(3-pyridyl)-D-alanyl-L-seryl-L-tyrosyl-N(sup 6)-(N,N'-diethylamidino)-D-lysyl-L-leucyl-N(sup 6)-(N,N'-diethylamidino)-L-lysyl-L-prolyl-D-alaninamide diacetate (salt);orgalutran;RS 26306;RS-26306;RS-26306-298

Chemical Property of Ganirelix

Chemical Property:

• Refractive Index: 1.632
• PKA: 9.82±0.15(Predicted)
• PSA: 451.49000
• Density: 1.31 g/cm³
• LogP: 7.99260
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 48
• Exact Mass: 1568.8423034
• Heavy Atom Count: 112
• Complexity: 3030

Purity/Quality:

99% ^*data from raw suppliers

Ganirelix >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC(=NCCCCC(C(=O)NC(CC(C)C)C(=O)NC(CCCCN=C(NCC)NCC)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CN=CC=C3)NC(=O)C(CC4=CC=C(C=C4)Cl)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)NC(=O)C)NCC
• Isomeric SMILES: CCNC(=NCCCC[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN=C(NCC)NCC)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)C)NCC
• Recent ClinicalTrials: Hormonal Mechanisms of Sleep Restriction - Axis Study
• Recent EU Clinical Trials: Assisted reproductive technology (ART) and pregnancy outcomes in women with adenomyosis (internal endometriosis) according to stimulation protocol in relation to immunological and endometrial features: a prospective, randomized study.
• Recent NIPH Clinical Trials: Efficacy of reulgolix in controlled ovarian stimulation cycles
• Uses: Decapeptide LH-RH antagonist. Ganirelix is used in treatment of infertility.
• Therapeutic Function: LHRH antagonist