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Heterocyclic building blocks

Vytorin

Also known as Ezetimibe/simvastatin, Ezetimibe, simvastatin, INEGY

CAS 444313-53-5Formula C49H59F2NO8Molar mass 828.01 g/mol
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Vytorin chemical structure, C49H59F2NO8, CAS 444313-53-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
444313-53-5
Formula
C49H59F2NO8
Molar mass
828.01 g/mol
HS code
293220
Category
Heterocyclic building blocks

What is Vytorin?

Plain description, key identifiers and synonyms

Ezetimibe/Simvastatin is an orally bioavailable combination agent containing the cholesterol absorption inhibitor ezetimibe and the hepatic hydroxymethyl-glutaryl coenzyme A (HMG-CoA) reductase inhibitor simvastatin, with lipid-lowering activity. Upon oral administration, ezetimibe binds to the sterol transporter Niemann-Pick C1-Like 1 (NPC1L1) at the brush border of the small intestine and inhibits the intestinal absorption of biliary and dietary cholesterol and related phytosterols. This decreases blood cholesterol levels, decreases the delivery of intestinal cholesterol to the liver, reduces hepatic cholesterol stores and enhances the clearance of cholesterol from the bloodstream.

Read more

Upon administration of simvastatin and subsequent hydrolyzation to its active beta-hydroxyacid form, this statin competitively inhibits HMG-CoA reductase, the enzyme which catalyzes the conversion of HMG-CoA to mevalonate, which is an essential step in cholesterol synthesis. Ezetimibe and simvastatin together reduce blood levels of total cholesterol, low-density lipoprotein cholesterol (LDL-C), triglycerides (TGs), very-low-density lipoproteins (VLDL), and apolipoprotein B (Apo B), and increase the plasma concentration of high-density lipoprotein cholesterol (HDL-C). Higher cholesterol blood levels appear to be associated with an increased risk in the proliferation of certain cancer cells, such as prostate cancer cells.

Vytorin is a drug combination used for the treatment of dyslipidemia.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate, (3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one
CAS number
444313-53-5 CAS number cross-checked
Molecular formula
C49H59F2NO8
InChIKey
PNAMDJVUJCJOIX-IUNFJCKHSA-N
InChI
InChI=1S/C25H38O5.C24H21F2NO3/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19;25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3;1-12,21-23,28-29H,13-14H2/t15-,16-,18+,19+,20-,21-,23-;21-,22+,23-/m01/s1
Canonical SMILES
CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21.O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1
Isomeric SMILES
CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C.C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@@H](C4=CC=C(C=C4)F)O)O

Synonyms

  • Ezetimibe/simvastatin
  • Ezetimibe, simvastatin
  • INEGY
  • Ezetimibe and simvastatin
  • Simvastatin and ezetimibe
  • Ezetimibe-simvastatin combination
  • MK 0653A
  • ezetimibe, simvastatin drug combination

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
828.01 g/molcalc.
Exact mass
827.4209 Dacalc.
LogP (octanol/water)
9.47calc.
Topological polar surface area
133.6 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
12calc.
Heavy atoms
60calc.
Rings
7calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.49calc.
Formal charge
0calc.
Stereocentres
10calc.
Components
2calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1C(CCCc2ccccc2)C(c2ccccc2)N1c1ccccc1

O=C1C(CCCc2ccccc2)C(c2ccccc2)N1c1ccccc1

4 rings, 26 atoms.

55 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Vytorin suppliers

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All 2 suppliers

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Where suppliers are based

2 suppliers in 2 countries

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Vytorin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Vytorin is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Vytorin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Vytorin, based on the data on this page

What is Vytorin?

Ezetimibe/Simvastatin is an orally bioavailable combination agent containing the cholesterol absorption inhibitor ezetimibe and the hepatic hydroxymethyl-glutaryl coenzyme A (HMG-CoA) reductase inhibitor simvastatin, with lipid-lowering activity.

What is the CAS number of Vytorin?

The CAS registry number of Vytorin is 444313-53-5.

What is the molecular formula and weight of Vytorin?

The molecular formula of Vytorin is C49H59F2NO8 and its molar mass is 828.01 g/mol.

What is Vytorin used for?

Known uses and roles of Vytorin include building blocks in research and laboratory.

Is Vytorin hazardous?

No GHS hazard classification for Vytorin is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Vytorin?

Vytorin is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Vytorin?

CompoundList lists 2 suppliers of Vytorin in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Vytorin?

Suppliers quote Vytorin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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