(3S,5R)-fluvastatin sodium

Properties Image MNX_ID MNXM31145 reference chebi:77603 formula C24H25FNNaO4 global charge 0 mol weight 433.455 InChIKey ZGGHKIMDNBDHJB-RPQBTBOMSA-M InChI InChI=1S/C24H26FNO4.Na/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30;/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30);/q;+1/p-1/b12-11+;/t18-,19-;/m0./s1 SMILES CC(C)N1C2=C(C=CC=C2)C(C2=CC=C(F)C=C2)=C1/C=C/[C@H](O)C[C@H](O)CC(=O)[O-].[Na+] MNX internals InChI (mnx) InChI=1/C24H26FNO4.Na/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30;/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30);/q;+1/b12-11+;/t18-,19-;/m0./s1 SMILES (mnx) [CH3:1][CH:15]([CH3:2])[N:26]1[C:21]2=[CH:6][CH:4]=[CH:3][CH:5]=[C:20]2[C:24]([C:16]2=[CH:8][CH:10]=[C:17]([F:25])[CH:9]=[CH:7]2)=[C:22]1/[CH:12]=[CH:11]/[C@@H:18]([CH2:13][C@@H:19]([CH2:14][C:23](=[O:29])[OH:30])[OH:28])[OH:27].[Na+:31]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0