chempirical

Rizatriptan benzoate

C22H25N5O2CAS 145202-66-0391.48 g/mol

Open in Covalent MOL file
NHNNNNOHO
Carboxylic acidTertiary amine

Properties

Molecular formula
C22H25N5O2
Molar mass
391.48 g/mol
Exact mass
391.2008 Da
logP
3.30Crippen estimate
Polar surface area
87.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6

Identifiers

CAS number
145202-66-0
SMILES
CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.O=C(O)c1ccccc1
InChIKey
JPRXYLQNJJVCMZ-UHFFFAOYSA-N
InChI
InChI=1S/C15H19N5.C7H6O2/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20;8-7(9)6-4-2-1-3-5-6/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3;1-5H,(H,8,9)

Weigh it out

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

Names and synonyms

7 names
  • 1H-Indole-3-ethanamine, N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-, benzoate (1:1)
  • 1H-Indole-3-ethanamine, N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-, monobenzoate
  • MK 462
  • Maxalt
  • Rizora
  • Rizact 5
  • Ritza

Work with Rizatriptan benzoate

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

Rizatriptan144034-80-075 % similar Zolmitriptan139264-17-844 % similar Sumatriptan succinate103628-48-444 % similar Sumatriptan103628-46-242 % similar Almotriptan154323-57-642 % similar Almotriptan malate181183-52-839 % similar 5-Methoxy-N,N-dimethyltryptamine1019-45-039 % similar N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine1453-97-034 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook