C59H79N15O21S6
1526.8 g/mol
APIWarning
Linaclotide
CAS851199-59-2
Category
API
Compound Class
Peptide
Primary Use
Pharmaceutical Raw Material
Linaclotide is an active pharmaceutical ingredient used in the manufacture of medications for certain gastrointestinal conditions. It is a peptide compound with a complex cyclic structure, commonly supplied to pharmaceutical manufacturers and research institutions.
Pharmaceutical raw material for constipation-predominant conditionsResearch compound for gastrointestinal motility studies
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
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CAS 851199-59-2
Related Compounds
StrongStructure SimilarSimilarity 0.95
L-Tyrosine, L-cysteinyl-L-cysteinyl-L-alpha-glutamyl-L-tyrosyl-L-cysteinyl-L-cysteinyl-L-alpha-aspartyl-L-prolyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cysteinyl-, cyclic (1-->6),(2-->10),(5-->13)-tris(disulfide)
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research compound
StrongStructure SimilarSimilarity 0.88
Linaclotide Impurity 3(Acylated Linaclotide)
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Safety Reference
Warning
H302Harmful if swallowed
Identifiers
IUPAC Name
(2S)-2-[[(1R,4S,7S,13S,16R,21R,24R,27S,30S,33R,38R,44S)-21-amino-13-(2-amino-2-oxoethyl)-27-(2-carboxyethyl)-44-[(1R)-1-hydroxyethyl]-30-[(4-hydroxyphenyl)methyl]-4-methyl-3,6,12,15,22,25,28,31,40,43,46,51-dodecaoxo-18,19,35,36,48,49-hexathia-2,5,11,14,23,26,29,32,39,42,45,52-dodecazatetracyclo[22.22.4.216,33.07,11]dopentacontane-38-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
InChIKey
KXGCNMMJRFDFNR-WDRJZQOASA-N
SMILES
C[C@H]1C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O)C(=O)N[C@@H](CSSC[C@@H](C(=O)N3)N)C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N1)CC(=O)N)CC6=CC=C(C=C6)O)CCC(=O)O
Synonyms (15)
- Linaclotide (JAN/USAN)
- Constella
- Constella (TN)
- Linaclotida
- Linaclotide
- Linzess
- Linzess (TN)
- Linzess Ammonium Salt
- linaclotidum