hydrodolasetron (Q27294438)

(1S,3S,5R)-10-Hydroxy-8-azatricyclo[5.3.1.0~3,8~]undec-5-yl 1H-indole-3-carboxylate (English)

14 October 2016

chemical formula

C₁₉H₂₂N₂O₃

0 references

canonical SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)OC3CC4CC5CC(C3)N4CC5O

1 reference

hydrodolasetron (English)

14 October 2016

isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)O[C@@H]3C[C@@H]4C[C@H]5CC(C3)N4CC5O

1 reference

hydrodolasetron (English)

InChI=1S/C19H22N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,18,20,22H,5-8,10H2/t11-,12-,13?,14+,18?/m0/s1

14 October 2016

Identifiers

InChI

1 reference

hydrodolasetron (English)

MLWGAEVSWJXOQJ-QUTOIKEYSA-N

14 October 2016

InChIKey

1 reference

hydrodolasetron (English)

14 October 2016

1 reference

hydrodolasetron (English)

14 October 2016

1 reference

(1S,3S,5R)-10-Hydroxy-8-azatricyclo[5.3.1.0~3,8~]undec-5-yl 1H-indole-3-carboxylate (English)

DSSTOX compound identifier

14 October 2016

DSSTox substance ID

DTXSID90926043

0 references

0 references

1 reference

hydrodolasetron (English)