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Name: Atrasentan CAS#: 173937-91-2 Chemical Formula: C29H38N2O6 Exact Mass: 510.273 Molecular Weight: 510.63 Elemental Analysis: C, 68.21; H, 7.50; N, 5.49; O, 18.80 |
Technical Information |
Synonym: ABT-627; (+)-A 127722; A-147627 IUPAC/Chemical Name: 3-Pyrrolidinecarboxylic acid, 4-(1, 3-benzodioxo-5-yl)-1-(2-(dibutylamino)-2-oxoethyl)-2-(4-methoxyphenyl)-, (2R, 3R, 4S)- InChi Key: MOTJMGVDPWRKOC-XTBZXYEFSA-N InChi Code: InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13, 16, 23, 27-28H, 4-7, 14-15, 17-19H2, 1-3H3, (H, 33, 34)/t23-, 27-, 28-/m1/s1 SMILES Code: COc1ccc([CH]2[CH](C(O)=O)[CH](c3ccc(OCO4)c4c3)CN2CC(N(CCCC)CCCC)=O)cc1 |