CATEGORY H · H-19Intermediate

4-(4-carboxy-3-(2,2,2-trifluoro-N-(tetrahydropyran-4-yl)acetamido)phenyl)-1-methylpiperazin-1-ium 2,2,2-trifluoroacetate

4-(4-甲基-1-哌嗪基)-2-[(4-四氢吡喃基)(2,2,2-三氟乙酰基)氨基]苯甲酸三氟乙酸盐
CAS Registry No.
1034975-62-6
Terminal API
Entrectinib
Molecular Weight
529.4
Product Type
Intermediate

Identification & Structure

Chemical structure of 4-(4-carboxy-3-(2,2,2-trifluoro-N-(tetrahydropyran-4-yl)acetamido)phenyl)-1-methylpiperazin-1-ium 2,2,2-trifluoroacetate
2D Structure

CN1CCN(CC1)C2=CC(=C(C=C2)C(=O)O)N(C3CCOCC3)C(=O)C(F)(F)F.C(=O)(C(F)(F)F)O

Product CodeH-19
Product TypeIntermediate
CAS Number1034975-62-6
Molecular FormulaC21H25F6N3O6
Molecular Weight529.4
IUPAC Name4-(4-methylpiperazin-1-yl)-2-[oxan-4-yl-(2,2,2-trifluoroacetyl)amino]benzoic acid;2,2,2-trifluoroacetic acid
SMILESCN1CCN(CC1)C2=CC(=C(C=C2)C(=O)O)N(C3CCOCC3)C(=O)C(F)(F)F.C(=O)(C(F)(F)F)O
InChIKeyJKABYDPZTNAPTE-UHFFFAOYSA-N
PubChem CID86643838
Quality ParametersSpecification per batch COA, available on request

Related Terminal API

Listed in our catalog as an intermediate related to Entrectinib. Specification, available documents and lead time are confirmed with the manufacturer for each inquiry.

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