(Q27291183)

N-Desmethylzolmitriptan (English)

(4R)-4-({3-[2-(methylamino)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one

14 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₅H₁₉N₃O₂

1 reference

N-Desmethylzolmitriptan (English)

14 October 2016

canonical SMILES

CNCCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3

1 reference

N-Desmethylzolmitriptan (English)

14 October 2016

isomeric SMILES

CNCCC1=CNC2=C1C=C(C=C2)C[C@H]3COC(=O)N3

1 reference

N-Desmethylzolmitriptan (English)

InChI=1S/C15H19N3O2/c1-16-5-4-11-8-17-14-3-2-10(7-13(11)14)6-12-9-20-15(19)18-12/h2-3,7-8,12,16-17H,4-6,9H2,1H3,(H,18,19)/t12-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

N-Desmethylzolmitriptan (English)

QGGCHSMZXKNGCK-LBPRGKRZSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

N-Desmethylzolmitriptan (English)

14 October 2016

2 references

UNII

UP93V5RS6K

N-desmethyl zolmitriptan (English)

QGGCHSMZXKNGCK-LBPRGKRZSA-N

14 October 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=139264-35-0

1 reference

(4S)-4-({3-[2-(Methylamino)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one (English)

14 October 2016

1 reference

DSSTOX compound identifier

N-Desmethylzolmitriptan (English)

14 October 2016

1 reference

0 references

0 references

1 reference

Global Substance Registration System

UNII

UP93V5RS6K

N-desmethyl zolmitriptan (English)

14 October 2016

0 references

1 reference

N-Desmethylzolmitriptan (English)