Telotristat Etiprate
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
Molecular Identity
Telotristat Etiprate
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
PubChem CID: 25253377
2D Structure
Properties
C36H35ClF3N7O6
Molecular Formula
754.20
Molecular Weight
g/mol
753.2289
Exact Mass
Da
198
TPSA
May have limited oral absorption
4
H-Bond Donors
14
H-Bond Acceptors
1020
Complexity
SMILES
Canonical SMILES
SMILES: 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)OIsomeric SMILES
SMILES: CCOC(=O)[C@H](CC1=CC=C(C=C1)C2=CC(=NC(=N2)N)O[C@H](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)OSynonyms(20)
Telotristat etiprate1137608-69-5LX1606 HippurateLX1032 hippurateTelotristat ethyl hippurateLX-1606 HippurateLX 1032 HIPPURATE3T25U84H4ULX-1032 HIPPURATEETHYL 4-(2-AMINO-6-((1R)-1-(4-CHLORO-2-(3-METHYL-1H-PYRAZOL-1-YL)PHENYL)-2,2,2-TRIFLUOROETHOXY)PRYRIMIDIN-4-YL)-L-PHENYLALANINATE N-BENZOYLGLYCINATE (1:1)RefChem:57927DTXCID101513443DTXSID701027870LX 1606 HippurateTelotristat etiprate [USAN]
Data from PubChem (NCBI)
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