Products 145672-81-7
CAS 145672-81-7 appears in our catalog under these names: Cetrorelix Acetate, >95% (HPLC), Cetrorelix Acetate/ 98%, Cetrorelix Acetate, Cetrorelix (acetate), Cetrorelix (Acetate), 99.92%. Offered by: TRC, TargetMol, Biosynth, Sigma-Aldrich, Chemat. Available pack sizes: 10mg, 1mg, 25mg, 5mg, 50mg, 100mg, 500mg, 250mg.
Cetrorelix acetate is the acetic acid salt of cetrorelix. A gonadotrophin-releasing hormone (GnRH) antagonist, it is used for treatment of infertility and of hormone-sensitive cancers of the prostate and breast. It has a role as an antineoplastic agent and a GnRH antagonist. It is an oligopeptide and an acetate salt. It contains a cetrorelix.
Source: ChEBI
| Molecular formula | C72H96ClN17O16 |
|---|---|
| Molecular weight | 1491.1 g/mol |
| IUPAC name | (2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;acetic acid |
| InChIKey | KFEFLCOCAHJBEA-ANRVCLKPSA-N |
| SMILES | C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=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.CC(=O)O |
Computed by PubChem (NCBI)