nb-enantride (Q27256048)

Lithium {(1S,2R,3S,5S)-2-[2-(benzyloxy)ethyl]-6,6-dimethylbicyclo[3.1.1]hept-3-yl}[(1R,5S)-1,5-cyclooctanediyl-kappa~2~C~1~,C~5~]hydridoborate(1-) (English)

retrieved

14 October 2016

chemical formula

C₂₆H₄₀BLiO

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

[Li+].[BH-]1(C2CCCC1CCC2)C3C(C4C(C(C3)C4)(C)C)CCOCC5=CC=CC=C5

1 reference

stated in

Global Substance Registration System

UNII

31H0EF2H41

language of work or name

English

title

nb-enantride (English)

retrieved

14 October 2016

isomeric SMILES

[Li+].[BH-]1([C@H]2CCC[C@@H]1CCC2)[C@@H]3[C@H]([C@H]4C([C@@H](C3)C4)(C)C)CCOCC5=CC=CC=C5

1 reference

stated in

Global Substance Registration System

UNII

31H0EF2H41

language of work or name

English

title

nb-enantride (English)

retrieved

14 October 2016

Identifiers

InChI

InChI=1S/C26H40BO.Li/c1-26(2)20-16-24(26)23(14-15-28-18-19-8-4-3-5-9-19)25(17-20)27-21-10-6-11-22(27)13-7-12-21;/h3-5,8-9,20-25,27H,6-7,10-18H2,1-2H3;/q-1;+1/t20-,21-,22+,23+,24+,25+,27?;/m1./s1

1 reference

stated in

Global Substance Registration System

UNII

31H0EF2H41

language of work or name

English

title

nb-enantride (English)

retrieved

14 October 2016

InChIKey

XJOCNAQVRHLSGK-VVNIIREUSA-N

1 reference

stated in

Global Substance Registration System

UNII

31H0EF2H41

language of work or name

English

title

nb-enantride (English)

14 October 2016

1 reference

Global Substance Registration System

UNII

31H0EF2H41

language of work or name

English

title

nb-enantride (English)

14 October 2016

1 reference

language of work or name

English

title

Lithium {(1S,2R,3S,5S)-2-[2-(benzyloxy)ethyl]-6,6-dimethylbicyclo[3.1.1]hept-3-yl}[(1R,5S)-1,5-cyclooctanediyl-kappa~2~C~1~,C~5~]hydridoborate(1-) (English)

retrieved

14 October 2016

DSSTox substance ID

DTXSID10746164

0 references

DSSTOX compound identifier

DTXCID60696908

0 references

EC number

628-252-2

1 reference

stated in