varespladib (Q7915613)

Varespladib (English)

14 October 2016

chemical formula

C₂₁H₂₀N₂O₅

1 reference

Varespladib (English)

14 October 2016

canonical SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)O)C(=O)C(=O)N

1 reference

Varespladib (English)

InChI=1S/C21H20N2O5/c1-2-14-19(20(26)21(22)27)18-15(9-6-10-16(18)28-12-17(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)

14 October 2016

Commons category

Varespladib

0 references

Identifiers

InChI

1 reference

Varespladib (English)

14 October 2016

1 reference

Global Substance Registration System

Varespladib (English)

14 October 2016

2 references

UNII

2Q3P98DATH

varespladib (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=172732-68-2

9 April 2021

1 reference

Varespladib (English)

14 October 2016

1 reference

Varespladib (English)

14 October 2016

ChEBI ID

189668

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C21H20N2O5/c1-2-14-19(20(26)21(22)27)18-15(9-6-10-16(18)28-12-17(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)

1 reference

VARESPLADIB (English)

14 October 2016

2 references

inferred from InChIKey

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

1 reference

1 reference

DSSTOX compound identifier

DTXCID4091869

0 references

Guide to Pharmacology Ligand ID

9657

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

1 reference

Human Metabolome Database ID

Varespladib (English)

publication date

3 July 2018

HMDB0259766

2 references

based on heuristic

inferred from InChIKey

Global Substance Registration System

UNII

2Q3P98DATH

2 references

stated in

UNII

2Q3P98DATH

varespladib (English)

14 October 2016