carotegrast methyl (Q27285918)

Carotegrast methyl (English)

14 October 2016

chemical formula

C₂₈H₂₆Cl₂N₄O₅

1 reference

Carotegrast methyl (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)OC)NC(=O)C4=C(C=CC=C4Cl)Cl

1 reference

Carotegrast methyl (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)OC)NC(=O)C4=C(C=CC=C4Cl)Cl

1 reference

Carotegrast methyl (English)

InChI=1S/C28H26Cl2N4O5/c1-32(2)18-12-13-23-19(15-18)26(36)34(28(38)33(23)3)17-10-8-16(9-11-17)14-22(27(37)39-4)31-25(35)24-20(29)6-5-7-21(24)30/h5-13,15,22H,14H2,1-4H3,(H,31,35)/t22-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

Carotegrast methyl (English)

14 October 2016

1 reference

Global Substance Registration System

Carotegrast methyl (English)

14 October 2016

1 reference

UNII

OYK17DYO9M

carotegrast methyl (English)

14 October 2016

1 reference

Methyl N-(2,6-dichlorobenzoyl)-4-[6-(dimethylamino)-1-methyl-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]-L-phenylalaninate (English)

14 October 2016

2 references

Carotegrast methyl (English)

14 October 2016

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

1 reference

2 references

DSSTOX compound identifier

DTXCID20115680

0 references

Guide to Pharmacology Ligand ID

10510

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

DrugBank ID

DB16119

1 reference

Global Substance Registration System

UNII

OYK17DYO9M

2 references

stated in

UNII

OYK17DYO9M

carotegrast methyl (English)

14 October 2016