Search MNXref
 Feedback

Rosuvastatin lactone

PropertiesImage
MNX_IDMNXM160890 Image of MNXM160890
referencechebi:184522
formulaC22H26FN3O5S
global charge0
mol weight463.531
InChIKeySOEGVMSNJOCVHT-VEUZHWNKSA-N
InChIInChI=1S/C22H26FN3O5S/c1-13(2)20-18(10-9-17-11-16(27)12-19(28)31-17)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)32(4,29)30/h5-10,13,16-17,27H,11-12H2,1-4H3/b10-9+/t16-,17-/m1/s1
SMILESCC(C)C1=NC(N(C)S(C)(=O)=O)=NC(C2=CC=C(F)C=C2)=C1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1
MNX internals
InChI (mnx)InChI=1/C22H26FN3O5S/c1-13(2)20-18(10-9-17-11-16(27)12-19(28)31-17)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)32(4,29)30/h5-10,13,16-17,27H,11-12H2,1-4H3/b10-9+/t16-,17-/m1/s1 Image of MNXM160890
SMILES (mnx)[CH3:1][CH:13]([CH3:2])[C:20]1=[C:18](/[CH:10]=[CH:9]/[C@@H:17]2[CH2:11][C@@H:16]([OH:27])[CH2:12][C:19](=[O:28])[O:31]2)[C:21]([C:14]2=[CH:6][CH:8]=[C:15]([F:23])[CH:7]=[CH:5]2)=[N:25][C:22]([N:26]([CH3:3])[S:32]([CH3:4])(=[O:29])=[O:30])=[N:24]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:184522
chebi:184522
SOEGVMSNJOCVHT-VEUZHWNKSA-N 		Rosuvastatin lactone
N-[4-(4-luorophenyl)-5-[(E)-2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethenyl]-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulonamide
hmdb:HMDB0060941
SOEGVMSNJOCVHT-VEUZHWNKSA-N 		Rosuvastatin 5 S-lactone
N-[4-(4-fluorophenyl)-5-[(E)-2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethenyl]-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide
N-[4-(4-fluorophenyl)-5-[(E)-2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethenyl]-6-isopropylpyrimidin-2-yl]-N-methylmethanesulfonamide

hmdb:HMDB60941 		secondary/obsolete/fantasy identifier