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Ranolazine Impurity 13

CAT: 1596-AR-R10329-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-R10329-02Size:25 Units
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CAS Number
1983943-76-5
Synonyms
N- (2,6-dimethylphenyl) -2- (4- (2- (2-hydroxy-3- (2-methoxyphenoxy) propoxy) -3- (2-methoxyphenoxy) propyl) piperazin-1-yl) acetamide
Molecular Formula
C34H45N3O7
Molecular Weight
607.75
API Name
Ranolazine

Chemical Information

N-(2,6-Dimethylphenyl)-2-(4-(2-(2-hydroxy-3-(2-methoxyphenoxy)propoxy)-3-(2-methoxyphenoxy)propyl)piperazin-1-yl)acetamide
CAS Number1983943-76-5
PubChem CID168010536
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-[2-[2-hydroxy-3-(2-methoxyphenoxy)propoxy]-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
Molecular FormulaC34H45N3O7
Molecular Weight607.7
XLogP4.3
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count16
Heavy Atom Count44
Formal Charge0
Complexity804
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)OCC(COC4=CC=CC=C4OC)O
InChI
InChI=1S/C34H45N3O7/c1-25-10-9-11-26(2)34(25)35-33(39)21-37-18-16-36(17-19-37)20-28(24-44-32-15-8-6-13-30(32)41-4)42-22-27(38)23-43-31-14-7-5-12-29(31)40-3/h5-15,27-28,38H,16-24H2,1-4H3,(H,35,39)
InChIKey
XWTWSUPBAZBSED-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2,6-Dimethylphenyl)-2-(4-(2-(2-hydroxy-3-(2-methoxyphenoxy)propoxy)-3-(2-methoxyphenoxy)propyl)piperazin-1-yl)acetamide
CAS: 1983943-76-5
CID: 168010536
Formula: C34H45N3O7
MW: 607.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight607.7
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count16
Exact Mass607.32575078
Monoisotopic Mass607.32575078
Topological Polar Surface Area102 Ų
Heavy Atom Count44
Formal Charge0
Complexity804
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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RM-R141224-01Ranolazine Impurity X
RM-R141222-01Ranolazine Impurity V
RM-R141218-01Ranolazine Impurity R
RM-R141236-01Ranolazine Impurity 9
RM-R141228-01Ranolazine Impurity 2
RM-R141230-01Ranolazine Impurity 4
RM-R141232-01Ranolazine Impurity 6
RM-R141220-01Ranolazine Impurity T
RM-R141233-01Ranolazine Impurity 7
RM-R141240-01Ranolazine Impurity 13

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