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Rosuvastatin-5S-lactone

PropertiesImage
MNX_IDMNXM1583047 Image of MNXM1583047
referencevmhM:rsvlac
vmhM:rsvlac
formulaC22H26FN3O5S
global charge0
mol weight463.531
InChIKeySOEGVMSNJOCVHT-MDZDMXLPSA-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+
SMILESCC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/C1CC(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? Image of MNXM1583047
SMILES (mnx)[CH3:1][CH:13]([CH3:2])[c:20]1[c:18](/[CH:10]=[CH:9]/[CH:17]2[CH2:11][CH:16]([OH:27])[CH2:12][C:19](=[O:28])[O:31]2)[c:21](-[c:14]2[cH:5][cH:7][c:15]([F:23])[cH:8][cH:6]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)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

vmhM:rsvlac
vmhM:rsvlac
vmhmetabolite:rsvlac
vmhmetabolite:rsvlac
SOEGVMSNJOCVHT-MDZDMXLPSA-N 		Rosuvastatin-5S-lactone

vmhM:M_rsvlac 		secondary/obsolete/fantasy identifier