CAS 173334-58-2

Aliskiren hemifumarate

Description:

Aliskiren hemifumarate is a pharmaceutical compound primarily used as an antihypertensive agent. It functions as a direct renin inhibitor, which helps to lower blood pressure by preventing the conversion of angiotensinogen to angiotensin I, thereby reducing the production of angiotensin II, a potent vasoconstrictor. This compound is characterized by its relatively high solubility in water, which facilitates its absorption in the gastrointestinal tract. Aliskiren hemifumarate is typically administered orally and is known for its long half-life, allowing for once-daily dosing. The hemifumarate form indicates that it is a salt derived from fumaric acid, which can enhance its stability and solubility. Common side effects may include gastrointestinal disturbances, headache, and dizziness. As with any medication, it is essential to consider contraindications and potential interactions with other drugs. Overall, Aliskiren hemifumarate represents a significant advancement in the management of hypertension, providing an alternative to traditional therapies.

Formula:C₃₀H₅₃N₃O₆C₄H₄O₄

InChI:InChI=1/2C30H53N3O6.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

InChI key:KLRSDBSKUSSCGU-KRQUFFFQSA-N

SMILES:O(CCCOC)C1=C(OC)C=CC(C[C@@H](C[C@@H]([C@H](C[C@H](C(NCC(C(N)=O)(C)C)=O)C(C)C)O)N)C(C)C)=C1.C(=C/C(O)=O)\C(O)=O

Synonyms:

(2S,4S,5S,7S)-5-Amino-N-(2-carbamoyl-2-methylpropyl)-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methylnonanamide hemifumarate
(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxo-propyl)-4-hydroxy-2-isopropyl-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-nonanamide
Aliskiren Fumarate
Benzeneoctanamide, δ-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-γ-hydroxy-4-methoxy-3-(3-methoxypropoxy)-α,ζ-bis(1-methylethyl)-, (αS,γS,δS,ζS)-, (2E)-2-butenedioate (2:1)
Benzeneoctanamide, δ-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-γ-hydroxy-4-methoxy-3-(3-methoxypropoxy)-α,ζ-bis(1-methylethyl)-, (αS,γS,δS,ζS)-, (2E)-2-butenedioate (2:1) (salt)
Benzeneoctanamide, δ-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-γ-hydroxy-4-methoxy-3-(3-methoxypropoxy)-α,ζ-bis(1-methylethyl)-, [αS-(αR*,γR*,δR*,ζR*)]-, (E)-2-butenedioate (2:1) (salt)
But-2-Enedioic Acid
Aliskiren hemifumarate