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Cardiovascular and metabolic drugs

Simvastatin

Also known as Zocor, Synvinolin, Sinvacor

CAS 79902-63-9Formula C25H38O5Molar mass 418.57 g/molEC 616-751-8
GHS signal word: Warning. Pictograms: Harmful or irritant, Hazardous to the environment 147 suppliers listed Drug substance
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Simvastatin chemical structure, C25H38O5, CAS 79902-63-9
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
White to off-white crystalline powder from n-butyl chloride + hexane
Melting point
135 to 138
Solubility
In water, 3.0 × 10⁻² mg/L, temp not specified
HS code
293220
Category
Cardiovascular and metabolic drugs
Illustrative photo, off-white crystalline powder with an amber glass bottle on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Simvastatin?

Plain description, key identifiers and synonyms

Simvastatin is a member of the class of hexahydronaphthalenes that is lovastatin in which the 2-methylbutyrate ester moiety has been replaced by a 2,2-dimethylbutyrate ester group. It is used as a cholesterol-lowering and anti-cardiovascular disease drug. It has a role as a ferroptosis inducer, a geroprotector, an EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor, a prodrug and an EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor. It is a member of hexahydronaphthalenes, a delta-lactone, a fatty acid ester and a statin (semi-synthetic). It is functionally related to a lovastatin.

Simvastatin is a lipid-lowering medication.

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
CAS number
79902-63-9 CAS number cross-checked
EC numbers
616-751-8, 691-267-8, 692-956-6
Molecular formula
C25H38O5
UNII
AGG2FN16EV
MDL number
MFCD00072007
InChIKey
RYMZZMVNJRMUDD-HGQWONQESA-N
InChI
InChI=1S/C25H38O5/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/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
Canonical SMILES
CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21
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

Synonyms

  • Zocor
  • Synvinolin
  • Sinvacor
  • Denan
  • Lipex
  • Simvastatine
  • Sivastin
  • Lodales
  • Cholestat
  • Simvastatina
  • Colemin
  • Medipo
  • Simovil
  • Labistatin
  • Simvastatinum
  • Velostatin
  • Nivelipol
  • Rechol
  • (1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
  • MK 733
  • (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
  • [(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
  • Simvastatinum (Latin)
  • Lacersa
  • Ranzolont
Show all 37 synonyms
  • Simvador
  • Zocor heart-pro
  • ((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
  • Flolipid
  • Zocord
  • Pantok
  • Lipovas
  • Simvastatin lactone
  • Zorced
  • Sinvascor
  • MK 0733
  • Statin

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

Appearance
White to off-white crystalline powder from n-butyl chloride + hexaneexp.
Melting point
135 to 138exp.
Solubility
In water, 3.0 × 10⁻² mg/L, temp not specifiedexp.

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
418.57 g/molcalc.
Exact mass
418.2719 Dacalc.
LogP (octanol/water)
4.59calc.
Topological polar surface area
72.83 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
6calc.
Heavy atoms
30calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.76calc.
Formal charge
0calc.
Stereocentres
7calc.
Lipinski rule of five
Passes (0 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=C1CCCC(CCC2CC=CC3=CCCCC32)O1

O=C1CCCC(CCC2CC=CC3=CCCCC32)O1

3 rings, 19 atoms.

80 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H315Causes skin irritation.
  • H362May cause harm to breast-fed children.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (14)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P263Avoid contact during pregnancy and while nursing.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P318If exposed or concerned, get medical advice.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P391Collect spillage.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Simvastatin suppliers

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Where suppliers are based

147 suppliers in 30 countries

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Simvastatin 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

Anticholesteremic Agents, Hydroxymethylglutaryl-CoA Reductase Inhibitors.

Pharmacological actions

  • Anticholesteremic Agents
  • Hydroxymethylglutaryl-CoA Reductase Inhibitors
  • Hypolipidemic Agents

Roles

  • analgesic
  • anti-anaemic agent
  • anti-arrhythmia drug
  • anti-asthmatic agent
  • anti-inflammatory agent
  • anti-obesity agent
  • antiatherosclerotic agent
  • antibacterial agent
  • anticonvulsant
  • antidepressant
  • antihypertensive agent
  • antimicrobial agent
  • antineoplastic agent
  • antiparkinson drug
  • antipsychotic agent
  • antirheumatic drug
  • antiviral agent
  • cardiovascular drug
  • geroprotector
  • hepatoprotective agent
  • hypoglycemic agent
  • immunosuppressive agent
  • ophthalmology drug
  • prodrug

Functional uses

  • Pharmaceutical

Pharmacology

Simvastatin is a HMG-CoA Reductase Inhibitor. The mechanism of action of simvastatin is as a Hydroxymethylglutaryl-CoA Reductase Inhibitor.

How it is made

Simvastatin is made from lovastatin by exchange of the 2-methylbutanoyl group with a 2,2-dimethylbutanoyl group in position 8. This exchange can be performed by hydrolysis of the 8-ester with LiOH followed by protection of the 4-hydroxy group of the pyranone ring with tert-butyldimethylsilyl chloride (TBDMS), acylation with 2,2-dimethylbutyryl chloride and finally deprotection with tetrabutylammonium fluoride.

The drug is a methyl analog of lovastatin and is produced by the fermentation of Aspergillus terreus.

Preparation: ... European Patent Office Patent 33538, ... United States of America Patent 4444784 (1981, 1984 both to Merck & Co.).

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Simvastatin 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 Simvastatin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Simvastatin?

Simvastatin is a member of the class of hexahydronaphthalenes that is lovastatin in which the 2-methylbutyrate ester moiety has been replaced by a 2,2-dimethylbutyrate ester group. It is used as a cholesterol-lowering and anti-cardiovascular disease drug.

What is the CAS number of Simvastatin?

The CAS registry number of Simvastatin is 79902-63-9.

What is the molecular formula and weight of Simvastatin?

The molecular formula of Simvastatin is C25H38O5 and its molar mass is 418.57 g/mol.

What is Simvastatin used for?

Anticholesteremic Agents, Hydroxymethylglutaryl-CoA Reductase Inhibitors.

Is Simvastatin hazardous?

Simvastatin carries the GHS signal word "Warning". Main hazards: causes skin irritation, may cause harm to breast-fed children, very toxic to aquatic life with long lasting effects. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Simvastatin?

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

Where can I buy Simvastatin?

CompoundList lists 147 suppliers of Simvastatin in China, United States, India, Germany and 26 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Simvastatin in India?

28 suppliers in India list Simvastatin on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Simvastatin?

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

Guides for buyers

Practical guides that help when you source, ship or handle Simvastatin

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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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