Tenivastatin
Basic information
- CAS
121009-77-6- Standard SMILES
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21- InChIKey
XWLXKKNPFMNSFA-HGQWONQESA-N- Molecular formula
- C25H40O6
- Average molar mass
- 436.6 g/mol
- Monoisotopic mass
- 436.28248899
Overview
Simvastatin hydroxy acid is a carbonyl compound.
Names & identifiers
- Preferred name
- Tenivastatin
- IUPAC
- (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-dihydroxyheptanoic acid
- English name
- simvastatin acid
- Molecular formula
- C25H40O6
- Molecular weight
- 436.58
Names & synonyms
Simvastatin acidTenivastatin121009-77-6Simvastatin hydroxy acidSimvastatin carboxylic acidTenivastatinaTenivastatine9L6M5TH46B(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-dihydroxyheptanoic acidDTXSID608802491-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-, (1S-(1alpha(betaS*,deltaS*),2alpha,6beta,8beta,8aalpha))-1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-, (betaR,deltaR,1S,2S,6R,8S,8aR)-
Show more names
Benazolin-ethyl Impurity 14Simvastatin Acid (Tenivastatin)Tenivastatincalcium Salt impurity (OR) Simvastatin impurity ASimvastatin Acid D6Q: What is Simvastatin Acid D6 Q: What is the CAS Number of Simvastatin Acid D6(βR,δR,1S)-8α-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8aβ-hexahydro-β,δ-dihydroxy-2β,6α-dimethyl-1β-naphthaleneheptanoic acid
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 694
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Simvastatin
LogP4.47
Physicochemical properties
- Boiling point
- 607 · 607.0±55.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 4.31 · 4.31±0.10(Predicted)
- FDA UNII
- 9 L6M5TH46B · 9L6M5TH46B
- EPA Substance Registry System
- 1 · 1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-?,?-dihydroxy-2,6-dimethyl-, (?R,?R,1S,2S,6R,8S,8aR)- (121009-77-6)
Chemistry & industry
Pharmacology
Tissue LocationsKidney
Cellular LocationsCytoplasm
Applications
UsesSimvastatin acid (Tenivastatin), a hydrolysate of Simvastatin (HY-17502), is a HMG-CoA reductase (HMGCR) inhibitor. Simvastatin acid reduces Indoxyl sulfate-mediated reactive oxygen species (ROS) production in human cardiomyocytes. Simvastatin acid can also modulates OATP3A1 expression in cardiomyocytes and HEK293 cells transfected with the OATP3A1 gene[1][2].
Additional notes
DefinitionChEBI: Simvastatin hydroxy acid is a carbonyl compound.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…