desfluoroatorvastatin (Q27269377)

433289-84-0 (English)

14 October 2016

chemical formula

C₃₃H₃₆N₂O₅

1 reference

433289-84-0 (English)

14 October 2016

canonical SMILES

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

1 reference

433289-84-0 (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=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

1 reference

433289-84-0 (English)

InChI=1S/C33H36N2O5/c1-22(2)31-30(33(40)34-25-16-10-5-11-17-25)29(23-12-6-3-7-13-23)32(24-14-8-4-9-15-24)35(31)19-18-26(36)20-27(37)21-28(38)39/h3-17,22,26-27,36-37H,18-21H2,1-2H3,(H,34,40)(H,38,39)/t26-,27-/m1/s1

14 October 2016

Identifiers

InChI

1 reference

433289-84-0 (English)

SWFBJYRYCRZMSB-KAYWLYCHSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

433289-84-0 (English)

14 October 2016

2 references

UNII

831WX29C91

https://commonchemistry.cas.org/detail?cas_rn=433289-84-0

desfluoroatorvastatin (English)

14 October 2016

6 April 2021

InChIKey

SWFBJYRYCRZMSB-KAYWLYCHSA-N

1 reference

(3R,5R)-3,5-Dihydroxy-7-[2-isopropyl-4,5-diphenyl-3-(phenylcarbamoyl)-1H-pyrrol-1-yl]heptanoic acid (English)

14 October 2016

1 reference

433289-84-0 (English)

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

14 October 2016

ChEBI ID

191096

mapping relation type

exact match

1 reference

stated in

ChEBI release 2022-06-13

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

UNII

831WX29C91

desfluoroatorvastatin (English)