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Aliskiren Hemifumarate

Aliskiren Hemifumarate

API0232836

Aliskiren Hemifumarate

Aliskiren Hemifumarate is a renin inhibitor used for hypertension.

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  • CAS No.

    173334-58-2

  • Synonyms

    Aliskiren hemifumarate; 173334-58-2; Aliskiren fumarate

  • CHEMBL ID

    CHEMBL3545059

  • Compound CID

    6918427

  • Molecular Weight (g/mol)

    1219.6

  • Molecular Formula

    C64H110N6O16

  • InChI

    InChI=1S/2C30H53N3O6.C4H4O4/c2*1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36;5-3(6)1-2-4(7)8/h2*10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*22-,23-,24-,25-;/m00./s1

  • InChIKey

    KLRSDBSKUSSCGU-KRQUFFFQSA-N

  • SMILES

    CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.C(=C/C(=O)O)\C(=O)O

  • IUPAC Name

    (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;(E)-but-2-enedioic acid

  • Exact Mass (Da)

    1218.79783144

  • Monoisotopic Mass (Da)

    1218.79783144

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