chempirical

Zolmitriptan

C16H21N3O2CAS 139264-17-8287.36 g/mol

Open in Covalent MOL file
NHNOOHN
Tertiary amine

Properties

Molecular formula
C16H21N3O2
Molar mass
287.36 g/mol
Exact mass
287.1634 Da
logP
2.13Crippen estimate
Polar surface area
60.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
139264-17-8
SMILES
CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(O)=N3)cc12
InChIKey
ULSDMUVEXKOYBU-ZDUSSCGKSA-N
InChI
InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all
  • 2-Oxazolidinone, 4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-, (4S)-
  • 2-Oxazolidinone, 4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-, (S)-
  • (4S)-4-[[3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxazolidinone
  • 311C90
  • (S)-4-[[3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxazolidinone
  • BW 311C90
  • Zomig
  • Asco top
  • (4S)-4-[[3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl]methyl]oxazolidin-2-one
  • Xolnox
  • Zominat
  • Zipton
  • No-migraine Z
  • Amigrawest
  • (4S)-4-[[3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
  • 2-Oxazolidinone 4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-, (4S)-

Work with Zolmitriptan

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Methoxy-N,N-dimethyltryptamine1019-45-048 % similar Rizatriptan144034-80-048 % similar Sumatriptan103628-46-246 % similar Almotriptan154323-57-646 % similar Sumatriptan succinate103628-48-446 % similar (S)-4-(4-Aminobenzyl)-2-oxazolidinone152305-23-245 % similar (R)-4-Benzyl-2-oxazolidinone102029-44-744 % similar (-)-4-Benzyl-2-oxazolidinone90719-32-744 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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