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Product No: CT6561

N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide, 95%

Name: N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide
Brand: Chempure

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CAS Number

95635-55-5

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IUPAC name	N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
canonical 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)
inchi key	XKLMZUWKNUAPSZ-UHFFFAOYSA-N
molecular formula	C24H33N3O4
synonyms	RANOLAZINE 95635-55-5 Ranexa N-(2,6-dimethylphenyl)-2-(4-(2-hydroxy-3-(2-methoxyphenoxy)propyl)piperazin-1-yl)acetamide CVT-303
Compound Description	N--2-{4-[2-hydroxy-3-propyl]piperazin-1-yl}acetamide is an aromatic amide obtained by formal condensation of the carboxy group of 2-{4-[2-hydroxy-3-propyl]piperazin-1-yl}acetic acid with the amino group of 2,6-dimethylaniline. It is a monocarboxylic acid amide, an aromatic amide, a N-alkylpiperazine, a secondary alcohol and a monomethoxybenzene. Chronic angina is a common cardiovascular condition affecting millions worldwide and causes significant disability while interfering with daily activities. Ranolazine is a well-tolerated piperazine derivative used for the management of this condition, offering relief from uncomfortable and debilitating symptoms. With a mechanism of action different from drugs used to treat the same condition, ranolazine is a promising anti-anginal therapy. It was originally approved by the FDA in 2006. Ranolazine is an Anti-anginal. The mechanism of action of ranolazine is as a Cytochrome P450 3A Inhibitor, and P-Glycoprotein Inhibitor, and Cytochrome P450 2D6 Inhibitor, and Organic Cation Transporter 2 Inhibitor. Ranolazine is a unique, orally available antiangina agent. Chronic ranolazine therapy has not been associated with serum enzyme elevations, but has been linked to rare cases of mild, clinically apparent liver injury. Ranolazine is an orally available, piperazine derivative with anti-anginal and potential antineoplastic activities. Ranolazine's mechanism of action for its anti-ischemic effects has yet to be fully elucidated but may involve the alteration of the trans-cellular late sodium current in the ischemic myocyte. By preventing the rise of intracellular sodium levels, ranolazine may affect the transport activity of sodium-dependent calcium channels and prevent the calcium overload during myocardial ischemia, thereby preventing cellular injury. Ranolazine's potential antineoplastic effect may depend on its inhibitory effect on fatty acid oxidation, which may sensitize tumor cells to apoptosis and decrease tumor cell proliferation; fatty acid oxidation provides energy and promotes tumor cell proliferation and survival. An acetanilide and piperazine derivative that functions as a SODIUM CHANNEL BLOCKER and prevents the release of enzymes during MYOCARDIAL ISCHEMIA. It is used in the treatment of ANGINA PECTORIS.

Computed Properties

Molecular Weight:	427.5 g/mol
XLogP3:	2.7
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	9
Exact Mass:	427.24710654 g/mol
Monoisotopic Mass:	427.24710654 g/mol
Topological Polar Surface Area:	74.3 Å²
Heavy Atom Count:	31
Formal Charge:	0
Complexity:	531
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Ranolazine

Ranolazine dihydrochloride

(R)-ranolazine

N-(2,6-Dimethyl-phenyl)-2-{4-[(R)-2-hydroxy-3-(2-methyl-benzothiazol-5-yloxy)-propyl]-piperazin-1-yl}-acetamide

N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide;hydrochloride

N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazin-1-yl]acetamide

o-Desmethyl ranolazine

Ranolazine-D8

N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-6-yl)oxy]propyl]piperazin-1-yl]acetamide

2-{4-[3-(benzothiazol-6-yloxy)2-hydroxy-propyl]-piperazin-1-yl}-N-(2,6-dimethylphenyl)-acetamide

N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methyl-benzoxazol-5-yloxy)-propyl]-piperazin-1-yl}acetamide

N-(2,6-dimethylphenyl)-2-[(3S)-4-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperazin-1-yl]acetamide

(S)-ranolazine

Desmethoxy Ranolazine

2-{4-[4-(2,6-difluorophenyl)-2-hydroxybutyl]piperazinyl}-N-(2,6-dimethylphenyl)acetamide

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (27.27%) Acute Tox. 4 (63.64%) Skin Irrit. 2 (36.36%) Eye Irrit. 2 (27.27%) STOT SE 3 (36.36%) STOT SE 3 (18.18%) Repr. 2 (27.27%)
precautionary statement codes	P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (27.27%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (63.64%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (36.36%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (27.27%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (36.36%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H336 (18.18%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects] H361 (27.27%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
canonical 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)
inchi key	XKLMZUWKNUAPSZ-UHFFFAOYSA-N
molecular formula	C24H33N3O4
synonyms	RANOLAZINE 95635-55-5 Ranexa N-(2,6-dimethylphenyl)-2-(4-(2-hydroxy-3-(2-methoxyphenoxy)propyl)piperazin-1-yl)acetamide CVT-303
Compound Description	N--2-{4-[2-hydroxy-3-propyl]piperazin-1-yl}acetamide is an aromatic amide obtained by formal condensation of the carboxy group of 2-{4-[2-hydroxy-3-propyl]piperazin-1-yl}acetic acid with the amino group of 2,6-dimethylaniline. It is a monocarboxylic acid amide, an aromatic amide, a N-alkylpiperazine, a secondary alcohol and a monomethoxybenzene. Chronic angina is a common cardiovascular condition affecting millions worldwide and causes significant disability while interfering with daily activities. Ranolazine is a well-tolerated piperazine derivative used for the management of this condition, offering relief from uncomfortable and debilitating symptoms. With a mechanism of action different from drugs used to treat the same condition, ranolazine is a promising anti-anginal therapy. It was originally approved by the FDA in 2006. Ranolazine is an Anti-anginal. The mechanism of action of ranolazine is as a Cytochrome P450 3A Inhibitor, and P-Glycoprotein Inhibitor, and Cytochrome P450 2D6 Inhibitor, and Organic Cation Transporter 2 Inhibitor. Ranolazine is a unique, orally available antiangina agent. Chronic ranolazine therapy has not been associated with serum enzyme elevations, but has been linked to rare cases of mild, clinically apparent liver injury. Ranolazine is an orally available, piperazine derivative with anti-anginal and potential antineoplastic activities. Ranolazine's mechanism of action for its anti-ischemic effects has yet to be fully elucidated but may involve the alteration of the trans-cellular late sodium current in the ischemic myocyte. By preventing the rise of intracellular sodium levels, ranolazine may affect the transport activity of sodium-dependent calcium channels and prevent the calcium overload during myocardial ischemia, thereby preventing cellular injury. Ranolazine's potential antineoplastic effect may depend on its inhibitory effect on fatty acid oxidation, which may sensitize tumor cells to apoptosis and decrease tumor cell proliferation; fatty acid oxidation provides energy and promotes tumor cell proliferation and survival. An acetanilide and piperazine derivative that functions as a SODIUM CHANNEL BLOCKER and prevents the release of enzymes during MYOCARDIAL ISCHEMIA. It is used in the treatment of ANGINA PECTORIS.

Computed Properties

Molecular Weight:	427.5 g/mol
XLogP3:	2.7
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	9
Exact Mass:	427.24710654 g/mol
Monoisotopic Mass:	427.24710654 g/mol
Topological Polar Surface Area:	74.3 Å²
Heavy Atom Count:	31
Formal Charge:	0
Complexity:	531
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Ranolazine

Ranolazine dihydrochloride

(R)-ranolazine

N-(2,6-Dimethyl-phenyl)-2-{4-[(R)-2-hydroxy-3-(2-methyl-benzothiazol-5-yloxy)-propyl]-piperazin-1-yl}-acetamide

N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide;hydrochloride

N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazin-1-yl]acetamide

o-Desmethyl ranolazine

Ranolazine-D8

N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-6-yl)oxy]propyl]piperazin-1-yl]acetamide

2-{4-[3-(benzothiazol-6-yloxy)2-hydroxy-propyl]-piperazin-1-yl}-N-(2,6-dimethylphenyl)-acetamide

N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methyl-benzoxazol-5-yloxy)-propyl]-piperazin-1-yl}acetamide

N-(2,6-dimethylphenyl)-2-[(3S)-4-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperazin-1-yl]acetamide

(S)-ranolazine

Desmethoxy Ranolazine

2-{4-[4-(2,6-difluorophenyl)-2-hydroxybutyl]piperazinyl}-N-(2,6-dimethylphenyl)acetamide

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (27.27%) Acute Tox. 4 (63.64%) Skin Irrit. 2 (36.36%) Eye Irrit. 2 (27.27%) STOT SE 3 (36.36%) STOT SE 3 (18.18%) Repr. 2 (27.27%)
precautionary statement codes	P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (27.27%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (63.64%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (36.36%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (27.27%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (36.36%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H336 (18.18%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects] H361 (27.27%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

Product No: CT6561

N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide, 95%

Product No: CT6561

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

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Product No: CT6561

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?