beclabuvir hydrochloride (Q27257441)

Beclabuvir hydrochloride (English)

14 October 2016

chemical formula

C₃₆H₄₆ClN₅O₅S

1 reference

Beclabuvir hydrochloride (English)

14 October 2016

canonical SMILES

CN1CC2CCC(C1)N2C(=O)C34CC3C5=C(C=CC(=C5)OC)C6=C(C7=C(N6C4)C=C(C=C7)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8.Cl

1 reference

Beclabuvir hydrochloride (English)

14 October 2016

isomeric SMILES

CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]34C[C@H]3C5=C(C=CC(=C5)OC)C6=C(C7=C(N6C4)C=C(C=C7)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8.Cl

1 reference

Beclabuvir hydrochloride (English)

InChI=1S/C36H45N5O5S.ClH/c1-38(2)47(44,45)37-34(42)23-10-14-28-31(16-23)40-21-36(35(43)41-24-11-12-25(41)20-39(3)19-24)18-30(36)29-17-26(46-4)13-15-27(29)33(40)32(28)22-8-6-5-7-9-22;/h10,13-17,22,24-25,30H,5-9,11-12,18-21H2,1-4H3,(H,37,42);1H/t24-,25+,30-,36-;/m0./s1

14 October 2016

Identifiers

InChI

1 reference

Beclabuvir hydrochloride (English)

14 October 2016

1 reference

Global Substance Registration System

Beclabuvir hydrochloride (English)

14 October 2016

1 reference

UNII

3KU5345YJF

beclabuvir hydrochloride (English)

14 October 2016

1 reference

Beclabuvir hydrochloride (English)

14 October 2016

2 references

Beclabuvir hydrochloride (English)

matched by identifier from

14 October 2016

matched by identifier from

72949848

1 reference

Global Substance Registration System

UNII

3KU5345YJF

2 references

stated in

UNII

3KU5345YJF

beclabuvir hydrochloride (English)

matched by identifier from

14 October 2016