carotegrast (Q27294147)

Carotegrast (English)

14 October 2016

chemical formula

C₂₇H₂₄Cl₂N₄O₅

1 reference

Carotegrast (English)

14 October 2016

canonical SMILES

CN1C2=C(C=C(C=C2)N(C)C)C(=O)N(C1=O)C3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=C(C=CC=C4Cl)Cl

1 reference

Carotegrast (English)

14 October 2016

isomeric SMILES

CN1C2=C(C=C(C=C2)N(C)C)C(=O)N(C1=O)C3=CC=C(C=C3)C[C@@H](C(=O)O)NC(=O)C4=C(C=CC=C4Cl)Cl

1 reference

Carotegrast (English)

InChI=1S/C27H24Cl2N4O5/c1-31(2)17-11-12-22-18(14-17)25(35)33(27(38)32(22)3)16-9-7-15(8-10-16)13-21(26(36)37)30-24(34)23-19(28)5-4-6-20(23)29/h4-12,14,21H,13H2,1-3H3,(H,30,34)(H,36,37)/t21-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

Carotegrast (English)

14 October 2016

1 reference

Global Substance Registration System

Carotegrast (English)

14 October 2016

1 reference

UNII

Y1HYC6SO3F

carotegrast (English)

14 October 2016

1 reference

Carotegrast (English)

14 October 2016

2 references

Carotegrast (English)

matched by identifier from

14 October 2016

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

1 reference

2 references

matched by identifier from

DSSTOX compound identifier

DTXCID10115679

0 references

Guide to Pharmacology Ligand ID

10511

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

2 references

Global Substance Registration System

UNII

Y1HYC6SO3F

carotegrast (English)

matched by identifier from

14 October 2016