(3S,5R)-atorvastatin (Q27292400)

UNII-W6MO59C0CE (English)

14 October 2016

1 reference

C₃₃H₃₅FN₂O₅

1 reference

UNII-W6MO59C0CE (English)

14 October 2016

canonical SMILES

CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

1 reference

UNII-W6MO59C0CE (English)

14 October 2016

isomeric SMILES

CC(C)C1=C(C(=C(N1CC[C@H](C[C@@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

1 reference

UNII-W6MO59C0CE (English)

InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27+/m1/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-W6MO59C0CE (English)

XUKUURHRXDUEBC-SXOMAYOGSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-W6MO59C0CE (English)

14 October 2016

1 reference

UNII

W6MO59C0CE

(3S,5R)-atorvastatin (English)

14 October 2016

1 reference

(3S,5R)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid (English)

14 October 2016

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

UNII-W6MO59C0CE (English)

14 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

UNII

W6MO59C0CE

(3S,5R)-atorvastatin (English)