Name | Prasugrel Impurity 67 |
Synonyms | 2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-3-piperidinylidene]acetic acid |
CAS | 1234699-44-5 |
InChI | InChI=1S/C27H28FNO5S/c1-34-20-6-4-5-18(13-20)23(30)16-35-24-11-12-29(15-19(24)14-25(31)32)26(27(33)17-9-10-17)21-7-2-3-8-22(21)28/h2-8,13-14,17,24,26H,9-12,15-16H2,1H3,(H,31,32) |
InChIKey | HNPJXQKTFJGUSO-UHFFFAOYSA-N |
Canonical Smiles | COC1=CC=CC(=C1)C(=O)CSC2CCN(CC2=CC(=O)O)C(C3=CC=CC=C3F)C(=O)C4CC4 |
Isomers Smiles | COC1=CC=CC(=C1)C(=O)CSC2CCN(CC2=CC(=O)O)C(C3=CC=CC=C3F)C(=O)C4CC4 |
Molecular Formula | C27H28FNO5S |
Molar Mass | 497.6 |
PSA | 109.21000 |
logP | 4.49380 |