API reference
Cetrorelix acetate
- CAS number
- 145672-81-7
- Molecular formula
- C72H96ClN17O16
- Molecular weight
- 1,491.1 g/mol
About this molecule
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, via PubChem.
Identifiers
- 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
- Other CAS numbers recorded
- 1631741-31-5
- PubChem CID
- 25078429
Also known as
Cetrorelix acetate · NS-75A · Cetrotide acetate · SB-075 ACETATE · SB 075 acetate · Cetrorelix Acetate for Injection · Cetrotide · Cetrorelix monoacetate
Related entries in the range
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