3-hydroxy-2-oxoquazepam glucuronide (Q27269235)

UNII-81A95YQJ6A (English)

14 October 2016

chemical formula

C₂₃H₁₉ClF₄N₂O₈

1 reference

UNII-81A95YQJ6A (English)

14 October 2016

canonical SMILES

C1=CC=C(C(=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)CC(F)(F)F)OC4C(C(C(C(O4)C(=O)O)O)O)O)F

1 reference

UNII-81A95YQJ6A (English)

14 October 2016

isomeric SMILES

C1=CC=C(C(=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)CC(F)(F)F)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)F

1 reference

UNII-81A95YQJ6A (English)

InChI=1S/C23H19ClF4N2O8/c24-9-5-6-13-11(7-9)14(10-3-1-2-4-12(10)25)29-19(20(34)30(13)8-23(26,27)28)38-22-17(33)15(31)16(32)18(37-22)21(35)36/h1-7,15-19,22,31-33H,8H2,(H,35,36)/t15-,16-,17+,18-,19?,22-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-81A95YQJ6A (English)

UQEYSCSEDAQQFY-RYQNVSPKSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-81A95YQJ6A (English)

14 October 2016

1 reference

UNII

81A95YQJ6A

3-hydroxy-2-oxoquazepam glucuronide (English)

14 October 2016

1 reference

7-Chloro-5-(2-fluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl beta-D-glucopyranosiduronic acid (English)

14 October 2016

2 references

UNII-81A95YQJ6A (English)

matched by identifier from

14 October 2016

InChIKey

UQEYSCSEDAQQFY-RYQNVSPKSA-N

1 reference

2 references

Global Substance Registration System

UNII

81A95YQJ6A

3-hydroxy-2-oxoquazepam glucuronide (English)