(S)-Alogliptin Benzoate Salt


CAS No. : 1638544-64-5

(S)-Alogliptin Benzoate Salt,1638544-64-5
Product Details
Cat No:R029433
Synonyms:2-[[6-[(3S)-3-Amino-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-benzonitrile Benzoate
Molecular Formula:C25H27N5O4
Molecular Weight:461.522
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Cat No:R029433
Cas No:1638544-64-5
Product-Name:(S)-Alogliptin Benzoate Salt
IUPAC Name:2-[[6-[(3S)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile;benzoic acid
InChI:InChI=1S/C18H21N5O2.C7H6O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19;8-7(9)6-4-2-1-3-5-6/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3;1-5H,(H,8,9)/t15-;/m0./s1
InChIKey:KEJICOXJTRHYAK-RSAXXLAASA-N
SMILES:CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCCC(C3)N.C1=CC=C(C=C1)C(=O)O
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