Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Aliskiren fumarate [USAN:JAN]
RN: 173334-58-2
UNII: C8A0P8G029
InChIKey: KLRSDBSKUSSCGU-KRQUFFFQSA-N

Note

  • Orally active nonpeptidic renin inhibitor.

Classification Code

  • Treatment of Essential Hypertension (Renin Inhibitor)

Molecular Formula

  • (C30-H53-N3-O6)2.C4-H4-O4

Molecular Weight

  • 1219.599
 

Names and Synonyms

Name of Substance

  • Aliskiren fumarate [USAN:JAN]

Synonyms

  • Aliskiren fumarate
  • Aliskiren hemifumarate
  • Bis(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-(4-methoxy-3-(3-methoxypropoxy)benzyl)-8-methyl-2-(1-methylethyl)nonanamide) (2E)-but-2-enedioate
  • SPP100
  • Tekturna
  • UNII-C8A0P8G029

Systematic Name

  • Benzeneoctanamide, delta-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-gamma-hydroxy-4-methoxy-3-(3-methoxypropoxy)-alpha,zeta-bis(1-methylethyl)-, (alphaS,gammaS,deltaS,zetaS)-, (2E)-2-butenedioate (2:1) (salt)

Registry Numbers

CAS Registry Number

  • 173334-58-2

FDA UNII

  • C8A0P8G029

System Generated Number

  • 0173334582

Structure Descriptors

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](Cc1ccc(c(c1)OCCCOC)OC)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](Cc1ccc(c(c1)OCCCOC)OC)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