(3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-yl-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoic acid (Q27165152)

(3R,5R)-Rosuvastatin (English)

9 October 2016

2 references

inferred from InChIKey

1 reference

C₂₂H₂₈FN₃O₆S

1 reference

(3R,5R)-Rosuvastatin (English)

9 October 2016

canonical SMILES

CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C

1 reference

(3R,5R)-Rosuvastatin (English)

9 October 2016

isomeric SMILES

CC(C)C1=NC(=NC(=C1C=C[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C

1 reference

(3R,5R)-Rosuvastatin (English)

InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/t16-,17-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

(3R,5R)-Rosuvastatin (English)

BPRHUIZQVSMCRT-IAGOWNOFSA-N

9 October 2016

InChIKey

2 references

(3R,5R)-Rosuvastatin (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3R,5S)-7-{4-(4-Fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}-3,5-dihydroxy-6-heptenoic acid (English)

9 October 2016

1 reference

(3R,5R)-Rosuvastatin (English)

9 October 2016

ChEBI ID

93454

mapping relation type

1 reference