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210980-68-0

210980-68-0 Structure

210980-68-0 Structure
IdentificationBack Directory
[Name]

Dehydro Simvastatin
[CAS]

210980-68-0
[Synonyms]

SIMV-IM A
Dehydro Simvastatin
SiMvastatin IMpurity-C
SiMvastatin EP IMpurity C
Simvastatin Impurity C(EP)
Simvastatin Impurity 3(EP-C)
Anhydro SiMvastatin (SiMvastatin IMpurity C)
Simvastatin EP Impurity C (Anhydro Simvastatin)
Simvastatin Impurity 3(Simvastatin EP Impurity C)
[(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-(2-((R)-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-(2-((R)-6-oxo-5,6-dihydro-2H-pyran-2-yl)ethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
2,2-DiMethylbutanoic Acid (1S,3R,7S,8S,8aR)-8-[2-[(2R)-3,6-Dihydro-6-oxo-2H-pyran -2-yl]ethyl]-1,2,3,7,8,8a-hexahydro-3,7-diMethyl-1-naphthalenyl Ester
Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-8-[2-[(2R)-3,6-dihydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-1-naphthalenyl ester
[Molecular Formula]

C25H36O4
[MDL Number]

MFCD21363829
[MOL File]

210980-68-0.mol
[Molecular Weight]

400.55
Chemical PropertiesBack Directory
[Melting point ]

57 - 60°C
[Boiling point ]

536.8±50.0 °C(Predicted)
[density ]

1.07±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

Acetonitrile (Slightly), Chloroform (Slightly), Ethyl Acetate (Slightly), Methan
[form ]

Oil
[color ]

Colourless to Pale Yellow
[Major Application]

pharmaceutical (small molecule)
[InChIKey]

BIYWBTKPNWCYHM-RLSQPJRHSA-N
[SMILES]

O1[C@@H](CC=CC1=O)CC[C@@H]2[C@H]3[C@H](C[C@H](C=C3C=C[C@@H]2C)C)OC(=O)C(CC)(C)C
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)Exclamation Mark (GHS07)Environment (GHS09)
GHS08,GHS07,GHS09
[Signal word ]

Danger
[Hazard statements ]

H317-H411-H373-H361-H334
[Precautionary statements ]

P260-P314-P501-P261-P285-P304+P341-P342+P311-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P201-P202-P281-P308+P313-P405-P501
[HS Code ]

2932206000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Chronic 3
Hazard InformationBack Directory
[Chemical Properties]

Off-White Low Melting Solid
[Uses]

Simvastatin (S485000) impurity.
Spectrum DetailBack Directory
[Spectrum Detail]

Dehydro Simvastatin(210980-68-0)1HNMR
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