(Q27155403)

N-Desmethylzolmitriptan (English)

9 October 2016

stereoisomer of

N-desmethyl zolmitriptan

0 references

chemical formula

C₁₅H₁₉N₃O₂

1 reference

N-Desmethylzolmitriptan (English)

9 October 2016

canonical SMILES

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

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N-Desmethylzolmitriptan (English)

9 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-/m1/s1

9 October 2016

Identifiers

InChI

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N-Desmethylzolmitriptan (English)

QGGCHSMZXKNGCK-GFCCVEGCSA-N

9 October 2016

InChIKey

2 references

N-Desmethylzolmitriptan (English)

reason for deprecated rank

9 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

139264-35-0

applies to other chemical entity

1 reference

N-Desmethylzolmitriptan (English)

9 October 2016

1 reference

1 reference

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

9 October 2016

1 reference

N-Desmethylzolmitriptan (English)

9 October 2016

ChEBI ID

81475

mapping relation type

1 reference