Drug Information

General Information
Drug ID
DR00061
Drug Name
Aliskiren fumarate
Synonyms
(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-(propan-2-yl)nonanamide; (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; (2S,4S,5S,7S)-N-(2-Carbamoyl-2-methylpropyl)-5-amino-4-hydroxy-2,7-diisopropyl-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]octanamide; Aliskiren (USAN/INN); Octanamide, .delta.-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-.gamma.-hydroxy-4-methoxy-3-(3-methoxypropoxy)-.alpha.,.zeta.-bis(1-methylethyl)-, [.alpha.S-(alpha.R*,.gamma.R*,.delta.R*,.zeta.R*)]; Rasilez; Rasilez (TN); SPP 100; Tekturna (TN)
Drug Type
Small molecular drug
Indication High blood pressure [ICD11:BA00] Approved [1]
Therapeutic Class
Antihypertensive Agents
Structure
3D MOL 2D MOL
Formula
C30H53N3O6
Canonical SMILES
CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N
InChI
InChI=1S/C30H53N3O6/c1-19(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/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1
InChIKey
UXOWGYHJODZGMF-QORCZRPOSA-N
CAS Number
CAS 173334-57-1
Pharmaceutical Properties Molecular Weight 551.8 Topological Polar Surface Area 146
Heavy Atom Count 39 Rotatable Bond Count 19
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 7
XLogP
3.5
PubChem CID
5493444
PubChem SID
103615727 ,104178818 ,114001043 ,124897540 ,126666078 ,129435102 ,134338459 ,135916045 ,137002989 ,137227121 ,140385193 ,14763777 ,14886049 ,151991991 ,152028160 ,152258402 ,160647239 ,160964589 ,162181387 ,17397362 ,174006809 ,175268617 ,176485078 ,177748803 ,178101514 ,179150066 ,185997039 ,187032771 ,223393380 ,223404348 ,223435288 ,223661693 ,223720068 ,224032552 ,226775246 ,242591596 ,251916704 ,251917943 ,251970968 ,252213891 ,39475202 ,46507474 ,46509572 ,51009124 ,7980347 ,85176969 ,87324641 ,96099933
ChEBI ID
CHEBI:601027
TTD Drug ID
D03SVX
DT(s) Transporting This Drug OATP2B1 Transporter Info Organic anion transporting polypeptide 2B1 Substrate [2]
P-GP Transporter Info P-glycoprotein 1 Substrate [3]
References
1 Wockhardt Ltd.: Aliskiren fumarate
2 Orange and apple juice greatly reduce the plasma concentrations of the OATP2B1 substrate aliskiren. Br J Clin Pharmacol. 2011 May;71(5):718-26.
3 Effects of the inhibition of intestinal P-glycoprotein on aliskiren pharmacokinetics in cynomolgus monkeys. Biopharm Drug Dispos. 2015 Jan;36(1):15-33.

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