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| CAS No.: | 81093-37-0 |
|---|---|
| Name: | Pravastatin |
| Article Data: | 17 |
| Molecular Structure: | |
|
|
|
| Formula: | C23H36O7 |
| Molecular Weight: | 424.535 |
| Synonyms: | 1-Naphthaleneheptanoicacid, 1,2,6,7,8,8a-hexahydro-b,d,6-trihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-,[1S-[1a(bS*,dS*),2a,6a,8b(R*),8aa]]-;3b-Hydroxycompactin;Eptastatin;Mevalothin;Pravastatin acid;1-Naphthaleneheptanoicacid, 1,2,6,7,8,8a-hexahydro-b,d,6-trihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-,(bR,dR,1S,2S,6S,8S,8aR)-; |
| Density: | 1.21g/cm3 |
| Melting Point: | 171.2-173 °C |
| Boiling Point: | 634.5 °C at 760 mmHg |
| Flash Point: | 213.2 °C |
| Appearance: | Off-white Cryst. |
| Hazard Symbols: |
 F,  C
|
| Risk Codes: | 11-34 |
| Safety: | 16-26-36/37/39-45 |
| PSA: | 127.12000 |
| LogP: | 1.10570 |
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Specification
1. Introduction of Pravastatin
Pravastatin is one kind of white powder or white to yellowish white powder or crystalline powder, odorless, bitter taste. The IUPAC Name of this chemical is (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-Hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid. Besides, its Classification Code is Anticholesteremic agents; Antilipemic Agents; Antimetabolites; Enzyme Inhibitors; Hydroxymethylglutaryl-CoA reductase inhibitors. In addition, Pravastatin water solubility is 2464mg/L.
2. Properties of Pravastatin
Physical properties about Pravastatin are:
(1)Melting point: 171.2-173 °C; (2)Index of Refraction: 1.554; (3)Molar Refractivity: 111.98 cm3; (4)Molar Volume: 349.1 cm3; (5)Surface Tension: 53.9 dyne/cm; (6)Density: 1.21 g/cm3; (7)Flash Point: 213.2 °C; (8)Enthalpy of Vaporization: 107.45 kJ/mol; (9)Boiling Point: 634.5 °C at 760 mmHg; (10)Vapour Pressure: 9.15E-19 mmHg at 25°C; (11)XLogP3: 1.6; (12)H-Bond Donor: 4; (13)H-Bond Acceptor: 7; (14)Rotatable Bond Count: 11; (15)Exact Mass: 424.246103; (16)MonoIsotopic Mass: 424.246103; (17)Topological Polar Surface Area: 124; (18)Heavy Atom Count: 30; (19)Formal Charge: 0; (20)Complexity: 656; (21)Isotope Atom Count: 0; (22)Defined Atom Stereocenter Count: 8; (23)Undefined Atom Stereocenter Count: 0; (24)Defined Bond Stereocenter Count: 0; (25)Undefined Bond Stereocenter Count: 0; (26)Covalently-Bonded Unit Count: 1; (27)Feature 3D Acceptor Count: 6; (28)Feature 3D Donor Count: 3; (29)Feature 3D Anion Count: 1; (30)Feature 3D Hydrophobe Count: 2; (31)Feature 3D Ring Count: 2; (32)Effective Rotor Count: 12; (33)Conformer Sampling RMSD: 1.
3. Structure Descriptors of Pravastatin
(1)InChI: InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
(2)InChIKey: TUZYXOIXSAXUGO-PZAWKZKUSA-N
(3)Canonical SMILES: CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O
(4)Isomeric SMILES: CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O
(5)Smiles: C1=2C=C[C@H](C)[C@@H]([C@H]1[C@H](C[C@@H](O)C2)OC([C@H](CC)C)=O)CC[C@H](C[C@H](CC(O)=O)O)O
4. Safety information of Pravastatin
Hazard Codes of Pravastatin (81093-37-0): 
F,
C
Risk Statements: 11-34
R11:Highly flammable.
R34:Causes burns.
Safety Statements: 16-26-36/37/39-45
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
5. Uses of Pravastatin
Pravastatin (81093-37-0) is commonly used for lowering blood pressure, cholesterol drugs. As a reductase inhibitor, for a variety of models have reduced the role of hyperlipidemia, for lowering blood pressure, cholesterol, from the micro-organisms to be hydroxide. Pravastatin is one of the lower potency statins; but its increased hydrophilicity is thought to confer advantages such as minimal penetration through lipophilic membranes of peripheral cells, increased selectivity for hepatic tissues, and a reduction in side effects compared with lovastatin and simvastatin.