pemafibrate (Q27251943)

UNII-17VGG92R23 (English)

14 October 2016

chemical formula

C₂₈H₃₀N₂O₆

1 reference

UNII-17VGG92R23 (English)

14 October 2016

canonical SMILES

CCC(C(=O)O)OC1=CC=CC(=C1)CN(CCCOC2=CC=C(C=C2)OC)C3=NC4=CC=CC=C4O3

1 reference

UNII-17VGG92R23 (English)

14 October 2016

isomeric SMILES

CC[C@H](C(=O)O)OC1=CC=CC(=C1)CN(CCCOC2=CC=C(C=C2)OC)C3=NC4=CC=CC=C4O3

1 reference

UNII-17VGG92R23 (English)

InChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)/t25-/m1/s1

14 October 2016

Commons category

Pemafibrate

0 references

Identifiers

InChI

1 reference

UNII-17VGG92R23 (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-17VGG92R23 (English)

14 October 2016

2 references

UNII

17VGG92R23

pemafibrate (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=848259-27-8

9 April 2021

1 reference

pemafibrate (English)

14 October 2016

2 references

UNII-17VGG92R23 (English)

14 October 2016

ChEBI ID

228365

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)/t25-/m1/s1

1 reference

CHEMBL247951 (English)

14 October 2016

2 references

inferred from InChIKey

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

1 reference

2 references

DSSTOX compound identifier

DTXCID30156382

0 references

DrugBank ID

DB15212

1 reference

Global Substance Registration System

UNII

17VGG92R23

2 references

stated in

UNII

17VGG92R23

pemafibrate (English)

14 October 2016