6'-hydroxyhydrodolasetron (Q27265934)

(1s,3R,5r,7S)-10-Hydroxy-8-azatricyclo[5.3.1.0~3,8~]undec-5-yl 6-hydroxy-1H-indole-3-carboxylate (English)

14 October 2016

chemical formula

C₁₉H₂₂N₂O₄

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC2=C(C=C1O)NC=C2C(=O)OC3CC4CC5CC(C3)N4CC5O

1 reference

6'-hydroxyhydrodolasetron (English)

14 October 2016

isomeric SMILES

C1=CC2=C(C=C1O)NC=C2C(=O)O[C@H]3C[C@H]4C[C@@H]5C[C@@H](C3)N4CC5O

1 reference

6'-hydroxyhydrodolasetron (English)

InChI=1S/C19H22N2O4/c22-13-1-2-15-16(8-20-17(15)7-13)19(24)25-14-5-11-3-10-4-12(6-14)21(11)9-18(10)23/h1-2,7-8,10-12,14,18,20,22-23H,3-6,9H2/t10-,11-,12+,14+,18?

14 October 2016

Identifiers

InChI

1 reference

6'-hydroxyhydrodolasetron (English)

ZMHGUJOFLCUYPP-IQNJWJSPSA-N

14 October 2016

InChIKey

1 reference

6'-hydroxyhydrodolasetron (English)

14 October 2016

1 reference

6'-hydroxyhydrodolasetron (English)

14 October 2016

1 reference

(1s,3R,5r,7S)-10-Hydroxy-8-azatricyclo[5.3.1.0~3,8~]undec-5-yl 6-hydroxy-1H-indole-3-carboxylate (English)

14 October 2016

2 references

6'-hydroxyhydrodolasetron (English)