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Ranolazine

CAT: 0926-SFA38799-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0926-SFA38799-02Size:500 mg
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CAS Number
142387-99-3
Smiles
CC1=C (C (=CC=C1) C) NC (=O) CN2CCN (CC2) CC (COC3=CC=CC=C3OC) O
Molecular Formula
C24H33N3O4
Molecular Weight
427.5 g/mol
Controlled
No

Chemical Information

Ranolazine

N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide is an aromatic amide obtained by formal condensation of the carboxy group of 2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetic acid with the amino group of 2,6-dimethylaniline. It is a monomethoxybenzene, a monocarboxylic acid amide, a secondary alcohol, a N-alkylpiperazine and an aromatic amide.

CAS Number142387-99-3
PubChem CID56959
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
Molecular FormulaC24H33N3O4
Molecular Weight427.5
XLogP2.7
Topological Polar Surface Area74.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity531
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O
InChI
InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)
InChIKey
XKLMZUWKNUAPSZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ranolazine
CAS: 142387-99-3
CID: 56959
Formula: C24H33N3O4
MW: 427.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.5
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass427.24710654
Monoisotopic Mass427.24710654
Topological Polar Surface Area74.3 Ų
Heavy Atom Count31
Formal Charge0
Complexity531
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A8510-5.1Ranolazine

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