Simvastatin ammonium salt
Pharmaceutical Materials 2025-03-02
CAS Number: 139893-43-9
Molecular Formula: C25H39O6.NH4 or C25H43NO6
Molecular Weight: 453.62 or 453.61
Synonyms: Simvastatin acid ammonium, Tenivastatin ammonium salt Appearance: White crystalline powder Usage: Used as a cholesterol-lowering agent.
| Name | Simvastatin ammonium salt |
| Synonyms | Simvastatin impurity A Simvastatin ammonium salt SIMVASTATIN AMMONIUM SALT Simvastatin acid ammonium salt SIMVASTATIN HYDROXY ACID, AMMONIUM SALT Simvastatin hydroxyl acid ammonium salt 1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a Ammonium (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutyryloxy)-1,2,6,7,8,8a-hexahydro-2,6-dimethyl-1-naphthyl]-3,5-dihydroxyheptanoate (3R,5R)-7-((1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoate ammonium salt 1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-,d-dihydroxy-2,6-dimethyl-, monoammonium salt, (R,dR,1S,2S,6R,8S,8aR)- 1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-,d-dihydroxy-2,6-dimethyl-, monoammonium salt, (R,dR,1S,2S,6R,8S,8aR)- (9CI) |
Physico-chemical Properties
| Molecular Formula | C25H43NO6 |
| Molar Mass | 453.61 |
| Melting Point | 128-131°C |
| Water Solubility | 3.3g/L at 20℃ |
| Solubility | DMSO (Sparingly), Ethanol (Slightly), Methanol (Slightly), Water (Slightly) |
| Vapor Presure | 0.001Pa at 25℃ |
| Appearance | Solid |
| Color | White to Off-White |
| BRN | 4836426 |
| Storage Condition | -20°C |
| In vitro study | There is a pH-dependent effect on organic anion transporting polypeptide 3A1 (OATP3A1) uptake, with more efficient simvastatin acid uptake at pH5.5 in HEK293 cells transfected with the OATP3A1 gene. The Michaelis-Menten constant (Km) for simvastatin acid uptake by OATP3A1 was 0.017 μM and the Vmax was 0.995 fmol/min/105 cells. |
Risk and Safety
| Risk Codes | R36/37/38 – Irritating to eyes, respiratory system and skin. R64 – May cause harm to breast-fed babies R52/53 – Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R40 – Limited evidence of a carcinogenic effect R61 – May cause harm to the unborn child |
| Safety Description | S26 – In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 – Wear suitable protective clothing. S36/37/39 – Wear suitable protective clothing, gloves and eye/face protection. S24/25 – Avoid contact with skin and eyes. S22 – Do not breathe dust. S53 – Avoid exposure – obtain special instructions before use. |
| WGK Germany | 3 |
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