ChemicalBook--->CAS DataBase List--->139893-43-9

139893-43-9

139893-43-9 Structure

139893-43-9 Structure
IdentificationBack Directory
[Name]

Simvastatin ammonium salt
[CAS]

139893-43-9
[Synonyms]

Simvastatin impurity A
(βR,δR,1S,2S,6R,8S,8aR)-
SIMVASTATIN AMMONIUM SALT
Tenivastatin ammonium salt
Simvastatin acid ammonium salt
Simvastatin hydroxyl acid ammonium salt
SIMVASTATIN HYDROXY ACID, AMMONIUM SALT
Simvastatin carboxylic acid ammonium salt
Simvastatin hydroxy acid ammonium salt, >=95%
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
(βR,δR,1S,2S,6R,8S,8aR)-8-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-β,δ-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoic acid ammonium salt
(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)- (9CI)
[EINECS(EC#)]

1533716-785-6
[Molecular Formula]

C25H43NO6
[MDL Number]

MFCD07773041
[MOL File]

139893-43-9.mol
[Molecular Weight]

453.61
Chemical PropertiesBack Directory
[Appearance]

White Powder
[Melting point ]

128-131°C
[vapor pressure ]

0.001Pa at 25℃
[storage temp. ]

Hygroscopic, -20?C Freezer, Under Inert Atmosphere
[solubility ]

DMSO (Sparingly), Ethanol (Slightly), Methanol (Slightly), Water (Slightly)
[form ]

Solid
[color ]

White to Off-White
[Water Solubility ]

3.3g/L at 20℃
[BRN ]

4836426
[Major Application]

forensics and toxicology
pharmaceutical (small molecule)
[InChIKey]

FFPDWNBTEIXJJF-OKDJMAGBSA-N
[LogP]

0.28 at 25℃
Hazard InformationBack Directory
[Chemical Properties]

White Powder
[Uses]

A competitive inhibitor of HMG-CoA reductase. A metabolite of Simvastin
[Uses]

A metabolite of Simvastin (S485000). A competitive inhibitor of HMG-CoA reductase.
Safety DataBack Directory
[Hazard Codes ]

Xi,T
[Risk Statements ]

36/37/38-64-52/53-40-61
[Safety Statements ]

26-36-36/37/39-24/25-22-53
[WGK Germany ]

3
[REACH Registrations]

Active
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Aquatic Chronic 3
Carc. 2
Repr. 1A
Spectrum DetailBack Directory
[Spectrum Detail]

Simvastatin ammonium salt(139893-43-9)1HNMR
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