Products for Research Use Only
RegisterLogin

Simvastatin acid (ammonium)

CAT: 1568-C03376-1gSize: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1568-C03376-1gSize:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
139893-43-9
Synonyms
Tenivastatin ammonium
Target
HMG-CoA Reductase
Applications
Metabolism
Molecular Formula
C25H40O6.H3N
Additionnal Information
Simvastatin acid (Tenivastatin) ammonium is a potent inhibitor of HMG-CoA reductase (HMGCR) . Simvastatin acid ammonium also decreases Indoxyl sulfate-induced reactive oxygen species (ROS) production in human cardiomyocytes. Simvastatin acid ammonium regulates the expression of OATP3A1 in cardiomyocytes.

Chemical Information

simvastatin ammonium salt
CAS Number139893-43-9
PubChem CID10961424
IUPAC Nameazanium (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
Molecular FormulaC25H43NO6
Molecular Weight453.6
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity689
SMILES
CCC(C)(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)C.[NH4+]
InChI
InChI=1S/C25H40O6.H3N/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29;/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29);1H3/t15-,16-,18+,19+,20-,21-,23-;/m0./s1
InChIKey
FFPDWNBTEIXJJF-OKDJMAGBSA-N
Chemical Structure
2D Structure
2D structure of simvastatin ammonium salt
CAS: 139893-43-9
CID: 10961424
Formula: C25H43NO6
MW: 453.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass453.30903809
Monoisotopic Mass453.30903809
Topological Polar Surface Area108 Ų
Heavy Atom Count32
Formal Charge0
Complexity689
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
C08058-01Simvastatin
C08058-100mgSimvastatin
C16497Simvastatin
C08058-25mgSimvastatin
C08058-1gSimvastatin
C16497-10mM/1mLSimvastatin
C08506-5mgAmmonium Glycyrrhizinate
C08506-25mgAmmonium Glycyrrhizinate
C03137-1gAmmonium sulfate
C03137-500mgAmmonium sulfate

Alternative Products

CatalogName
HY-119695A-01Simvastatin acid (ammonium)
BUP10204-01Simvastatin acid ammonium
CS-O-05979Simvastatin Hydroxy Acid Ammonium
HY-119695AS1Simvastatin acid-d9 (ammonium)
HY-119695AS2Simvastatin acid-d3 (ammonium)
HY-119695AR-01Simvastatin acid (ammonium) (Standard)
HY-119695ASSimvastatin acid-d6 (ammonium)
FS27835-01Simvastatin hydroxy acid ammonium salt
CS-O-31045Simvastatin Hydroxy acid-d3 Ammonium
S1013-85JSimvastatin Hydroxy Acid, Ammonium Salt

Popular Products