Molecular structure of Simvastatin (CAS NO.79902-63-9) is:
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
Molecular Weight: 418.56622 g/mol
Molecular Formula: C25H38O5
XLogP3: 4.7
H-Bond Donor: 1
H-Bond Acceptor: 5
Index of Refraction: 1.53
Molar Refractivity: 116.37 cm3
Molar Volume: 376.5 cm3
Melting Point: 139 °C
Surface Tension: 43 dyne/cm
Density: 1.11 g/cm3
Flash Point: 184.8 °C
Enthalpy of Vaporization: 97.49 kJ/mol
Boiling Point: 564.9 °C at 760 mmHg
Vapour Pressure: 4.12E-15 mmHg at 25 °C
Classification Code: Anticholesteremic agents; Antihyperlipidemic; Antilipemic agents; Antimetabolites; Drug / Therapeutic Agent; Enzyme Inhibitors; Human Data; Hydroxymethylglutaryl-CoA reductase inhibitors; Reproductive Effect
In 1956, mevalonic acid was isolated from a yeast extract by Karl Folkers.
In 1959, the HMG-CoA reductase enzyme was discovered by researchers at the Max Planck Institute.
By 1976, Akira Endo had isolated the first inhibitor (Compactin, ML-236B) from the fungus, Penicillium citrinium in Sankyo, Japan.
In 1979, Hoffman and colleagues isolated lovastatin from a strain of the fungus Aspergillus terreus.
Simvastatin (CAS NO.79902-63-9) is used to control hypercholesterolemia and to prevent cardiovascular disease. It is a powerful lipid-lowering drug that can decrease low density lipoprotein (LDL) levels by up to 50%.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD50 | oral | > 5gm/kg (5000mg/kg) | GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" GASTROINTESTINAL: NAUSEA OR VOMITING | Oyo Yakuri. Pharmacometrics. Vol. 39, Pg. 95, 1990. |
mouse | LD50 | intraperitoneal | 798mg/kg (798mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | Oyo Yakuri. Pharmacometrics. Vol. 39, Pg. 95, 1990. |
mouse | LD50 | oral | 3gm/kg (3000mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: OTHER CHANGES | Oyo Yakuri. Pharmacometrics. Vol. 39, Pg. 95, 1990. |
mouse | LD50 | subcutaneous | 1009mg/kg (1009mg/kg) | BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | Oyo Yakuri. Pharmacometrics. Vol. 39, Pg. 95, 1990. |
rat | LD50 | intraperitoneal | 705mg/kg (705mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | Oyo Yakuri. Pharmacometrics. Vol. 39, Pg. 95, 1990. |
rat | LD50 | oral | 4438mg/kg (4438mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: OTHER CHANGES | Oyo Yakuri. Pharmacometrics. Vol. 39, Pg. 95, 1990. |
rat | LD50 | subcutaneous | 672mg/kg (672mg/kg) | BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | Oyo Yakuri. Pharmacometrics. Vol. 39, Pg. 95, 1990. |
women | LDLo | oral | 108mg/kg/77W- (108mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | Australian and New Zealand Journal of Medicine. Vol. 25, Pg. 745, 1995. |
women | TDLo | oral | 2800ug/kg/7D- (2.8mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LIVER: LIVER FUNCTION TESTS IMPAIRED | Medical Journal of Australia. Vol. 155, Pg. 61, 1991. |
Safty information about Simvastatin (CAS NO.79902-63-9) is:
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR: 3077
RTECS: EK7798000
HazardClass: 9
PackingGroup: III
Simvastatin , its cas register number is 79902-63-9. It also can be called [(1S,3R,7R,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-oxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoat ; Butanoic acid, 2,2-dimethyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro- 4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1S-(1-alpha,3-alpha,7- beta,8-beta(2S*,4S*),8a-beta)) ; L-644128-000U ; MK-0733 ; Zocor .It is a white powder.
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