113457-05-9 Purity
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Specification
The molecular formula of telotristat etiprate is C36H35ClF3N7O6.
The molecular weight of telotristat etiprate is 754.2 g/mol.
The IUPAC name of telotristat etiprate is 2-benzamidoacetic acid;ethyl (2S)-2-amino-3-[4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]phenyl]propanoate.
The InChIKey of telotristat etiprate is XSFPZBUIBYMVEA-CELUQASASA-N.
The canonical SMILES representation of telotristat etiprate is CCOC(=O)C(CC1=CC=C(C=C1)C2=CC(=NC(=N2)N)OC(C3=C(C=C(C=C3)Cl)N4C=CC(=N4)C)C(F)(F)F)N.C1=CC=C(C=C1)C(=O)NCC(=O)O.
The CAS number of telotristat etiprate is 1137608-69-5.
Telotristat etiprate has 4 hydrogen bond donor counts.
Telotristat etiprate has 14 hydrogen bond acceptor counts.
Telotristat etiprate has 13 rotatable bond counts.
The topological polar surface area of telotristat etiprate is 198 Ų.