(Q27271139)

(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate borate (1:1) (English)

14 October 2016

chemical formula

C₁₇H₂₆BNO₆

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

B(O)(O)O.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3

1 reference

atropine borate (English)

14 October 2016

isomeric SMILES

B(O)(O)O.CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)C3=CC=CC=C3

1 reference

atropine borate (English)

InChI=1S/C17H23NO3.BH3O3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;2-1(3)4/h2-6,13-16,19H,7-11H2,1H3;2-4H/t13-,14+,15+,16?;

14 October 2016

Identifiers

InChI

1 reference

atropine borate (English)

KDISQYRSELVNTQ-RIMUKSHESA-N

14 October 2016

InChIKey

1 reference

atropine borate (English)

14 October 2016

1 reference

atropine borate (English)

14 October 2016

1 reference

(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate borate (1:1) (English)

14 October 2016

1 reference

atropine borate (English)