bromerguride (Q27280141)

Bromerguride (English)

14 October 2016

chemical formula

C₂₀H₂₅BrN₄O

1 reference

Bromerguride (English)

14 October 2016

canonical SMILES

CCN(CC)C(=O)NC1CN(C2CC3=C(NC4=CC=CC(=C34)C2=C1)Br)C

1 reference

Bromerguride (English)

14 October 2016

isomeric SMILES

CCN(CC)C(=O)N[C@@H]1CN([C@@H]2CC3=C(NC4=CC=CC(=C34)C2=C1)Br)C

1 reference

Bromerguride (English)

InChI=1S/C20H25BrN4O/c1-4-25(5-2)20(26)22-12-9-14-13-7-6-8-16-18(13)15(19(21)23-16)10-17(14)24(3)11-12/h6-9,12,17,23H,4-5,10-11H2,1-3H3,(H,22,26)/t12-,17+/m0/s1

14 October 2016

Identifiers

InChI

1 reference

Bromerguride (English)

SBHNNNRQZGYOAU-YVEFUNNKSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Bromerguride (English)

14 October 2016

1 reference

UNII

HX58M2377W

bromerguride (English)

14 October 2016

1 reference

3-(2-bromo-9,10-didehydro-6-methylergolin-8a-yl)-1,1-diethylurea (English)

14 October 2016

1 reference

Bromerguride (English)

14 October 2016

1 reference

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

BROMERGURIDE (English)

14 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

UNII

HX58M2377W

bromerguride (English)