pimodivir hydrochloride hemihydrate (Q27273523)

UNII-A256039515 (English)

14 October 2016

chemical formula

C₄₀H₄₂Cl₂F₄N₁₀O₅

1 reference

UNII-A256039515 (English)

14 October 2016

canonical SMILES

C1CC2CCC1C(C2NC3=NC(=NC=C3F)C4=CNC5=NC=C(C=C45)F)C(=O)O.C1CC2CCC1C(C2NC3=NC(=NC=C3F)C4=CNC5=NC=C(C=C45)F)C(=O)O.O.Cl.Cl

1 reference

UNII-A256039515 (English)

14 October 2016

isomeric SMILES

C1CC2CCC1[C@@H]([C@H]2NC3=NC(=NC=C3F)C4=CNC5=NC=C(C=C45)F)C(=O)O.C1CC2CCC1[C@@H]([C@H]2NC3=NC(=NC=C3F)C4=CNC5=NC=C(C=C45)F)C(=O)O.O.Cl.Cl

1 reference

UNII-A256039515 (English)

InChI=1S/2C20H19F2N5O2.2ClH.H2O/c2*21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20(28)29;;;/h2*5-10,15-16H,1-4H2,(H,23,24)(H,28,29)(H,25,26,27);2*1H;1H2/t2*9?,10?,15-,16-;;;/m00.../s1

14 October 2016

Identifiers

InChI

1 reference

UNII-A256039515 (English)

WPLSKBKDOCXXMO-KIHJVYKPSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-A256039515 (English)

14 October 2016

1 reference

UNII

A256039515

pimodivir hydrochloride hemihydrate (English)

14 October 2016

2 references

UNII-A256039515 (English)

matched by identifier from

14 October 2016

InChIKey

WPLSKBKDOCXXMO-KIHJVYKPSA-N

1 reference

2 references

Global Substance Registration System

UNII

A256039515

pimodivir hydrochloride hemihydrate (English)