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Pravastatin USP Rc A

CAT: 1299-RM-P221905-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P221905-01Size:10 mg
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CAS Number
81131-74-0
Synonyms
(3R,5R) -3,5-dihydroxy-7- ((1S,2R,3S,8S,8aR) -3-hydroxy-2-methyl-8- (((S) -2-methylbutanoyl) oxy) -1,2,3,7,8,8a-hexahydronaphthalen-1-yl) heptanoic acid
Molecular Formula
C23H36O7
Molecular Weight
424.53
Target Alternative Name
Pravastatin
Product Name Synonym
(3R,5R) -3,5-dihydroxy-7- ((1S,2R,3S,8S,8aR) -3-hydroxy-2-methyl-8- (((S) -2-methylbutanoyl) oxy) -1,2,3,7,8,8a-hexahydronaphthalen-1-yl) heptanoic acid

Chemical Information

3'alpha-Isopravastatin
CAS Number81131-74-0
PubChem CID157787
IUPAC Name(3R,5R)-7-[(1S,2R,3S,8S,8aR)-3-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
Molecular FormulaC23H36O7
Molecular Weight424.5
XLogP2.2
Topological Polar Surface Area124
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count30
Formal Charge0
Complexity656
SMILES
CC[C@H](C)C(=O)O[C@H]1CC=CC2=C[C@H]([C@@H]([C@@H]([C@@H]12)CC[C@H](C[C@H](CC(=O)O)O)O)C)O
InChI
InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-7-5-6-15-10-19(26)14(3)18(22(15)20)9-8-16(24)11-17(25)12-21(27)28/h5-6,10,13-14,16-20,22,24-26H,4,7-9,11-12H2,1-3H3,(H,27,28)/t13-,14+,16+,17+,18-,19+,20-,22-/m0/s1
InChIKey
HIZIJHNJVQOXLO-YMUQFYNDSA-N
Chemical Structure
2D Structure
2D structure of 3'alpha-Isopravastatin
CAS: 81131-74-0
CID: 157787
Formula: C23H36O7
MW: 424.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight424.5
XLogP32.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass424.24610348
Monoisotopic Mass424.24610348
Topological Polar Surface Area124 Ų
Heavy Atom Count30
Formal Charge0
Complexity656
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes