Rosuvastatin Lactone

HCID 29918986CAS 503610-43-3

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Grundinformationen

Standard-SMILES: CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1
InChIKey: SOEGVMSNJOCVHT-VEUZHWNKSA-N
Summenformel: C22H26FN3O5S
Durchschnittliche Molmasse: 463,5 g/mol
Monoisotopische Masse: 463,15772027

Namen und Bezeichner

Bevorzugter Name: Rosuvastatin Lactone
IUPAC: N-[4-(4-fluorophenyl)-5-[(E)-2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethenyl]-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
Englischer Name: N-[4-(4-Fluorophenyl)-6-(1-methylethyl)-5-[(1E)-2-[(2S,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethenyl]-2-pyrimidinyl]-N-methylmethanesulfonamide
Summenformel: C22H26FN3O5S
Molmasse: 463.52

Namen und Synonyme

Rosuvastatin Lactone503610-43-3Rosuvastatin-5S-lactoneFL37W41F3TDTXSID901034473Methanesulfonamide, N-(4-(4-fluorophenyl)-6-(1-methylethyl)-5-((1E)-2-((2S,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethenyl)-2-pyrimidinyl)-N-methyl-RefChem:179941DTXCID401519038836-302-1Rosuvastatin EP Impurity DN-[4-(4-Fluorophenyl)-6-(1-methylethyl)-5-[(1E)-2-[(2S,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethenyl]-2-pyrimidinyl]-N-methylmethanesulfonamideent-Rosuvastatin Lactone

Weitere Namen anzeigen

Rosuvastatin Impurity DRosuvastatin EP Imp DRsosuvastatin LactoneRosuvastatin calcium-5Rosuvastatin Lactone-d3Rosuvastatin-5R-lactoneRisuvastatin Impurity DRosuvastatin lactone, >=98%

N-(4-(4-fluorophenyl)-5-((E)-2-((2S,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)vinyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamideN-[4-(4-fluorophenyl)-5-[(E)-2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethenyl]-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamideN-[4-(4-fluorophenyl)-5-[(1E)-2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethenyl]-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamideN-[4-(4-fluorophenyl)-5-[(E)-2-[(2S,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethenyl]-6-(1-methylethyl)pyrimidin-2-yl]-N-methylmethanesulfonamideN-[4-(4-Fluorophenyl)-5-[(E)-2-[(2S,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethenyl]-6-(1-methylethyl)pyrimidin-2-yl]-N-methylmethanesulfonamide (Rosuvastatin Lactone)N-[4-(4-Fluorophenyl)-6-(1-methylethyl)-5-[(1E)-2-[(2S4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethenyl]-2-pyrimidinyl]-N-methylmethanesulfonamide615263-62-2UNII-FL37W41F3T

Datenbank-Bezeichner

CAS: 503610-43-3
PubChem CID: 29918986
DTXSID: DTXSID901034473
ChEBI: CHEBI:184522
UNII: FL37W41F3T
EC Number: 836-302-1
Nikkaji: J2.810.552E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 118 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 9
Frei drehbare Bindungen: 6
Schwere Atome: 32
Formalladung: 0
Komplexität: 779

Physikochemische Eigenschaften

Schmelzpunkt: 131 °C · 131 °C
Siedepunkt: 695 · 695.0±65.0 °C(Predicted)
Dichte: 1.387 · 1.387
storage temp.: -20 °C · -20°C Freezer
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
pka: 13.22 · 13.22±0.40(Predicted)
Aggregatzustand: Solid
Farbe: White to Off-White
Major Application: pharmaceutical
InChIKey: SOEGVMSNJOCVHT-VEUZHWNKSA-N
SMILES: Fc1ccc(cc1)c2nc(nc(c2\C=C\[C@H]3OC(=O)C[C@@H](C3)O)C(C)C)N([S](=O)(=O)C)C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H373 (50%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.