(Q27236793)

UNII-0HXB5NG8TY (English)

13 October 2016

chemical formula

C₂₀H₁₇BrN₄O₂

1 reference

UNII-0HXB5NG8TY (English)

13 October 2016

canonical SMILES

CC1=CN=C2N1C3=C(C=C(C=C3)Br)C(=NC2CCC(=O)O)C4=CC=CC=N4

1 reference

UNII-0HXB5NG8TY (English)

13 October 2016

isomeric SMILES

CC1=CN=C2N1C3=C(C=C(C=C3)Br)C(=N[C@H]2CCC(=O)O)C4=CC=CC=N4

1 reference

UNII-0HXB5NG8TY (English)

InChI=1S/C20H17BrN4O2/c1-12-11-23-20-16(6-8-18(26)27)24-19(15-4-2-3-9-22-15)14-10-13(21)5-7-17(14)25(12)20/h2-5,7,9-11,16H,6,8H2,1H3,(H,26,27)/t16-/m0/s1

13 October 2016

Identifiers

InChI

1 reference

UNII-0HXB5NG8TY (English)

13 October 2016

1 reference

Global Substance Registration System

UNII-0HXB5NG8TY (English)

13 October 2016

1 reference

UNII

0HXB5NG8TY

cns-7054 (English)

13 October 2016

1 reference

3-[(4S)-8-Bromo-1-methyl-6-(2-pyridinyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl]propanoic acid (English)

13 October 2016

2 references

UNII-0HXB5NG8TY (English)

matched by identifier from

13 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

0 references

2 references

Global Substance Registration System

UNII

0HXB5NG8TY

cns-7054 (English)

matched by identifier from

13 October 2016