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Basic information

  • Name:
  • Aliskiren

  • CAS No.:
  • 173334-57-1

  • Formula:
  • C30H53 N3 O6
  • Synonyms:
  • Benzeneoctanamide,d-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-g-hydroxy-4-methoxy-3-(3-methoxypropoxy)-a,z-bis(1-methylethyl)-,(aS,gS,dS,zS)-;(2S,4S,5S,7S)-5-Amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methylnonanamide;Rasilez;Tekturna;
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Chemistry

Structure of Aliskiren (CAS NO.173334-57-1):
                          
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-ylnonanamideMolecular
Empirical Formula of Aliskiren (CAS NO.173334-57-1): C30H53N3O6
Molecular Weight: 551.7583 g/mol
H bond acceptors: 9
H bond donors: 6
Freely Rotating Bonds: 21
Index of Refraction: 1.513
Molar Refractivity: 155.53 cm3
Molar Volume: 516.9 cm3
Surface Tension: 40.5 dyne/cm
Index of Refraction: 1.513
Density: 1.067 g/cm3
Flash Point: 406.4 °C
Enthalpy of Vaporization: 114.48 kJ/mol
Boiling Point: 748.4 °C at 760 mmHg
Vapour Pressure: 1.59E-23 mmHg at 25 °C
Product Categories: Chemical Amines; Amines; Chiral Reagents; Intermediates & Fine Chemicals; Pharmaceuticals
InChI
InChI=1/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
Smiles
C([C@@H](C[C@H](N)[C@H](C[C@@H](C(NCC(C(N)=O)(C)C)=O)C(C)C)O)C(C)C)c1ccc(OC)c(OCCCOC)c1

Specification

  Aliskiren , its cas register number is 173334-57-1. It also can be called (2S,4S,5S,7S)-5-Amino-N-(2-carbamoyl-2-methylpropyl)-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methylnonanamide and Tekturna . It is an orally active, synthetic nonpeptide renin inhibitor, used to be antihypertensive.

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