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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 05:14, 17 February 2012 (Saving copy of the {{drugbox}} taken from revid 474928777 of page Aliskiren for the Chem/Drugbox validation project (updated: 'ChemSpiderID', 'ChEMBL', 'ChEBI', 'StdInChI', 'StdInChIKey').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 05:14, 17 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{drugbox}} taken from revid 474928777 of page Aliskiren for the Chem/Drugbox validation project (updated: 'ChemSpiderID', 'ChEMBL', 'ChEBI', 'StdInChI', 'StdInChIKey').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{drugbox}}) taken from revid 474928777 of page Aliskiren with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
AHFS/Drugs.comMonograph
MedlinePlusa607039
License data
Pregnancy
category
  • C in first trimester
    D in second and third trimesters
Routes of
administration		PO (oral)
ATC code
Legal status
Legal status
Pharmacokinetic data
BioavailabilityLow (approximately 2.5%)
MetabolismHepatic, CYP3A4-mediated
Elimination half-life24 hours
ExcretionRenal
Identifiers
IUPAC name
  • (2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{methyl}-8-methyl-2-(propan-2-yl)nonanamide
CAS Number
PubChem CID
DrugBank
ChemSpider
UNII
KEGG
Chemical and physical data
FormulaC30H53N3O6
Molar mass551.758 g/mol g·mol
3D model (JSmol)
SMILES
  • O=C(N)C(C)(C)CNC(=O)(C(C)C)C(O)(N)C(C(C)C)Cc1cc(OCCCOC)c(OC)cc1
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+/t22-,23+,24-,25-;22-,23-,24-,25-;/m00./s1
  • Key:KLRSDBSKUSSCGU-OLEPBBCJSA-N
  (verify)