![Napsagatran]() |
Name: Napsagatran CAS#: 159668-20-9 Chemical Formula: C26H36N6O7S Exact Mass: 576.2366 Molecular Weight: 576.67 Elemental Analysis: C, 54.15; H, 6.29; N, 14.57; O, 19.42; S, 5.56 |
Technical Information |
Synonym: Ro 46-6240; Ro-46-6240; Ro 46 6240; Napsagatran hydrate Chemical Name: 2-[[(2S)-4-Amino-2-[[(3S)-1-carbamimidoylpiperidin-3-yl]methyl-naphthalen-2-ylsulfonylamino]-4-oxobutanoyl]-cyclopropylamino]acetic acid hydrate InChi Key: LQROGLFHUNEOES-ZLLYMXMVSA-N InChi Code: InChI=1S/C26H34N6O6S.H2O/c27-23(33)13-22(25(36)31(16-24(34)35)20-8-9-20)32(15-17-4-3-11-30(14-17)26(28)29)39(37, 38)21-10-7-18-5-1-2-6-19(18)12-21; /h1-2, 5-7, 10, 12, 17, 20, 22H, 3-4, 8-9, 11, 13-16H2, (H2, 27, 33)(H3, 28, 29)(H, 34, 35); 1H2/t17-, 22-; /m0./s1 SMILES Code: O=C(N(CC(O)=O)C1CC1)[CH](N(C[CH]2CN(C(N)=N)CCC2)S(=O)(C3=CC=C4C=CC=CC4=C3)=O)CC(N)=O.[H]O[H] |