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  • 4-[2-Amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]-L-phenylalanine ethyl ester N-benzoylglycine salt

4-[2-Amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]-L-phenylalanine ethyl ester N-benzoylglycine salt

CAS
1137608-69-5
Catalog Number
ACM1137608695
Category
Other Products
Molecular Weight
0
Molecular Formula
C27H26ClF3N6O3.C9H9NO3

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Specification

Synonyms
4-[2-Amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]-L-phenylalanine ethyl ester N-benzoylglycine salt;Telotristat etiprate;LX 1606 hippurate(Telotristat etiprate);Telotristat Etiprate (LX 1606 Hippurate);L-Phenylalanine, 4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]-, ethyl ester, compd. with N-benzoylglycine (1:1);Telotristat Etiprate, >=98%;(S)-ethyl 2-amino-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)propanoate hippurate;LX 1032 hippurate / Telotristat etiprate
What is the molecular formula of telotristat etiprate?

The molecular formula of telotristat etiprate is C36H35ClF3N7O6.

What is the molecular weight of telotristat etiprate?

The molecular weight of telotristat etiprate is 754.2 g/mol.

What is the IUPAC name of telotristat etiprate?

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.

What is the InChIKey of telotristat etiprate?

The InChIKey of telotristat etiprate is XSFPZBUIBYMVEA-CELUQASASA-N.

What is the canonical SMILES representation of telotristat etiprate?

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.

What is the CAS number of telotristat etiprate?

The CAS number of telotristat etiprate is 1137608-69-5.

How many hydrogen bond donor counts does telotristat etiprate have?

Telotristat etiprate has 4 hydrogen bond donor counts.

What is the hydrogen bond acceptor count of telotristat etiprate?

Telotristat etiprate has 14 hydrogen bond acceptor counts.

How many rotatable bond counts does telotristat etiprate have?

Telotristat etiprate has 13 rotatable bond counts.

What is the topological polar surface area of telotristat etiprate?

The topological polar surface area of telotristat etiprate is 198 Ų.

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