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Aliskiren 50mg

CAT: 0628-A11616-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A11616-50Size:50 mg
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CAS Number
173334-57-1

Chemical Information

Aliskiren

Aliskiren is a monomethoxybenzene compound having a 3-methoxypropoxy group at the 2-position and a multi-substituted branched alkyl substituent at the 4-position. It has a role as an antihypertensive agent. It is a monomethoxybenzene and a monocarboxylic acid amide.

CAS Number173334-57-1
PubChem CID5493444
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-ylnonanamide
Molecular FormulaC30H53N3O6
Molecular Weight551.8
XLogP3.5
Topological Polar Surface Area146
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count19
Heavy Atom Count39
Formal Charge0
Complexity717
SMILES
CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](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
Chemical Structure
2D Structure
2D structure of Aliskiren
CAS: 173334-57-1
CID: 5493444
Formula: C30H53N3O6
MW: 551.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight551.8
XLogP33.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count19
Exact Mass551.39343642
Monoisotopic Mass551.39343642
Topological Polar Surface Area146 Ų
Heavy Atom Count39
Formal Charge0
Complexity717
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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